2,3,5,8- Tetramethyl decane

2,3,5,8- Tetramethyl decane
Compound Structure:
Synonyms: 2,3,5,8-Tetramethyldecane;192823-15-7;Decane, 2,3,5,8-tetramethyl-;2,3,5,8-Tetramethyldecane #;CHEBI:84227;DTXSID70337936;XTIADNINQBIUNR-UHFFFAOYSA-N;Q27157597
Compound ID: NMPC-158
PubChem ID:

545611
Molecular Formula: C14H30
Canonical SMILES: CCC(C)CCC(C)CC(C)C(C)C
InChIKey: XTIADNINQBIUNR-UHFFFAOYSA-N
About the compound:

2,3,5,8-Tetramethyldecane is an alkane, specifically a derivative of decane. It is characterized by the presence of methyl groups at positions 2, 3, 5, and 8 on the decane backbone. This compound has been observed as a metabolite in cancer metabolism and is known to be a human metabolite. 2,3,5,8-Tetramethyldecane has been found in organisms like Vitis vinifera (grapevine) and Magnolia officinalis. Its presence and role in these organisms may vary, and it's worth noting that it has been detected in the context of cancer metabolism in humans. Metabolites are intermediates or byproducts of various metabolic processes within the body, and their presence can provide insights into biochemical pathways and potential disease states.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

198.39 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

7

Exact Mass

198.234750957 g/mol

Monoisotopic Mass

198.234750957 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

126

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Dyschoriste perrottetii
Download SDF