4 Tert Butyl 2 Methylheptane

Molecular Weight of (4R)-four-tert-butyl-2-methanesulfonyl-two-methylheptane (C13H28O2S)

Identification of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane Chemical Compound

2D chemical structure image of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane

Chemical Formula	C13H28O2S
Molecular Weight	248.42522 g/mol
IUPAC Proper noun	(4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane
SMILES String	CCCC(CC(C)(C)Southward(C)(=O)=O)C(C)(C)C
InChI	InChI=1S/C13H28O2S/c1-8-9-eleven(12(2,three)4)x-13(5,6)16(7,14)15/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKey	WKTXUDWOVQLWOI-LLVKDONJSA-N

Molecular Weight Description

The (4R)-four-tert-butyl-2-methanesulfonyl-ii-methylheptane molecule consists of 28 Hydrogen atom(s), 13 Carbon atom(s), 2 Oxygen atom(s) and i Sulfur atom(south) - a total of 44 cantlet(s). The molecular weight of (4R)-4-tert-butyl-2-methanesulfonyl-two-methylheptane is determined by the sum of the diminutive weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 248.42522 · \frac{1000}{mol} $$

The exact term of the to a higher place molecular weight is "molar mass", which is based on the atomic mass of each chemical element. Molecular weight is actually an older term of "relative molar mass" or "molecular mass", which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined past one m/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while tooth masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane — Ball-and-stick model of (4R)-four-tert-butyl-2-methanesulfonyl-2-methylheptane

More than Backdrop of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane

For physicochemical, thermodynamic, send, spectra, and other property data & data, the followings are available from "Mol-Instincts", a chemic database based on quantum mechanics:

Absolute Entropy of Ideal Gas
Acentric Cistron
Critical Compressibility Factor
Disquisitional Pressure
Critical Temperature
Disquisitional Volume
Dipole Moment
Enthalpy of Formation
Enthalpy of Fusion

Gibbs Energy of Formation
Liquid Molar Volume
Enthalpy of Combustion
Normal Boiling Point
Radius of Gyration
Refractive Alphabetize
Solubility Parameter
Standard State Absolute Entropy
Standard State Enthalpy of Formation

Standard Country Gibbs Energy of Formation
Van Der Waals Expanse
Van Der Waals Reduced Volume
Magnetic Susceptibility
Ionization Potential
Electron affinity
Flash Indicate
Parachor
Lower Flammability Limit Temperature

Lower Flammability Limit Volume Percent
Upper Flammability Limit Temperature
Upper Flammability Limit Volume Pct
Liquid Density
Heat of Vaporization at 298.15K
Heat of Vaporization at Normal Humid Bespeak

Estrus Chapters of Ideal Gas
Estrus Capacity of Liquid
Heat of Vaporization

Liquid Density
Surface Tension
Thermal Conductivity of Liquid

Thermal Conductivity of Gas
Vapor Pressure of Liquid
Viscosity of Liquid

Viscosity of Gas
2d Virial Coefficient

LogP (Octanol-Water Sectionalization Coefficient)
LogS (Water Solubility)
Number of Acceptor Atoms for H-bonds
Number of Donor Atoms for H-bonds

Ghose-Crippen Tooth Refractivity
Ghose-Crippen Octanol-Water Partition Coefficient (logP)
Moriguchi Octanol-Water Partition Coefficient (logP)
Lipinski Alert Index

Drug-likeness
Activity Score for GPCR Ligands
Activity Score for Ion Channel Modulators
Activity Score for Kinase Inhibitors

Activeness Score for Nuclear Receptor Ligands

IR spectra

NMR spectra

VCD spectra

Quantum Mechanical Assay
- Breakthrough Optimized Geometry
- Vibrational Assay & Animation
- Molecular Orbitals (HOMO, LUMO, etc.)

Quantum Mechanical Data (20 sets)

Molecular Descriptors
- 24 Categories
- Full of ii,004 Sets

Additional Information for Identifying (4R)-4-tert-butyl-2-methanesulfonyl-ii-methylheptane Molecule

Structure Data File (SDF/MOL File) of (4R)-4-tert-butyl-2-methanesulfonyl-two-methylheptane

The structure data file (SDF/MOL File) of (4R)-iv-tert-butyl-2-methanesulfonyl-2-methylheptane is available for download in the SDF page of (4R)-iv-tert-butyl-2-methanesulfonyl-2-methylheptane, which provides the information on atoms, bonds, connectivity and coordinates of (4R)-4-tert-butyl-2-methanesulfonyl-ii-methylheptane. The (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane structure data file can exist imported to near of the chemistry-related software, providing three-dimensional visualization and further analysis.
Chemical structure of (4R)-4-tert-butyl-2-methanesulfonyl-two-methylheptane

The molecular structure image of (4R)-4-tert-butyl-two-methanesulfonyl-2-methylheptane is available in chemical structure page of (4R)-4-tert-butyl-two-methanesulfonyl-two-methylheptane, which provides the molecular geometry data, i.e., the spatial arrangement of atoms in (4R)-4-tert-butyl-2-methanesulfonyl-two-methylheptane and the chemical bonds that hold the atoms together.
Chemic formula of (4R)-4-tert-butyl-ii-methanesulfonyl-ii-methylheptane

The molecular formula of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane is given in chemic formula page of (4R)-iv-tert-butyl-2-methanesulfonyl-2-methylheptane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

InChI (IUPAC International Chemical Identifier) information of (4R)-iv-tert-butyl-2-methanesulfonyl-2-methylheptane

In addition to the molecular weight data, the structural information of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane in a textual expression is available via InChi. The full standard InChI of (4R)-4-tert-butyl-two-methanesulfonyl-ii-methylheptane is given below:

InChI=1S/C13H28O2S/c1-8-9-11(12(ii,3)iv)10-13(five,half dozen)sixteen(7,14)fifteen/h11H,8-10H2,1-7H3/t11-/m1/s1

It can provide a way to encode the molecular information of (4R)-four-tert-butyl-two-methanesulfonyl-two-methylheptane to facilitate the search for the compound data in databases and on the spider web.

The condensed, 27 graphic symbol standard InChIKey (hashed version of the total standard InChI) of (4R)-four-tert-butyl-2-methanesulfonyl-ii-methylheptane is:

InChIKey=WKTXUDWOVQLWOI-LLVKDONJSA-N

It may permit easier web searches for (4R)-4-tert-butyl-two-methanesulfonyl-2-methylheptane. The InChIKey, nevertheless, needs to be linked to the total InChI too in lodge to get back to the original structure of the (4R)-iv-tert-butyl-2-methanesulfonyl-2-methylheptane equally the full standard InChI cannot be reconstructed from the InChIKey.

Other names (synonyms) or registry numbers of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane

In that location may be unlike names of the (4R)-4-tert-butyl-two-methanesulfonyl-ii-methylheptane chemical compound depending on the diverse situations of industrial applications, which are given beneath including the registry numbers if bachelor:

None available.

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(4R)-iv-tert-butyl-two-methanesulfonyl-2-methylheptane Identification Summary Frequently Asked Questions (FAQs)

What's the formula of (4R)-4-tert-butyl-two-methanesulfonyl-ii-methylheptane?
C13H28O2S
How many atoms and what are the elements in the (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane molecule?
44 atom(s) - 28 Hydrogen atom(s), xiii Carbon atom(s), 2 Oxygen atom(s) and i Sulfur cantlet(south)
How many chemical bonds and what types of bonds are in the (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane structure?
43 bond(due south) - 15 not-H bond(south), 2 multiple bond(due south), 6 rotatable bond(s), 2 double bond(s) and i sulfone(due south)
What's the molar mass of (4R)-4-tert-butyl-2-methanesulfonyl-ii-methylheptane?
248.42522 g/mol
What's the SMILES format of (4R)-iv-tert-butyl-2-methanesulfonyl-ii-methylheptane?
CCCC(CC(C)(C)South(C)(=O)=O)C(C)(C)C
What's the InChI format of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane?
InChI=1S/C13H28O2S/c1-viii-9-11(12(ii,3)four)10-13(v,vi)16(vii,14)fifteen/h11H,8-10H2,1-7H3/t11-/m1/s1
What'due south the InChIKey string of (4R)-4-tert-butyl-2-methanesulfonyl-2-methylheptane?
WKTXUDWOVQLWOI-LLVKDONJSA-Due north

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Source: Mol-Instincts Chemic Database, Predicted on Breakthrough.
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