Dodecane, 4,6-dimethyl

Compound Structure:

Synonyms:

4,6-dimethyldodecane; Dodecane, 4,6-dimethyl-

Compound ID:

NMPC-985

PubChem ID:

545627

Molecular Formula:

C14H30

Canonical SMILES:

CCCCCCC(C)CC(C)CCC

InChIKey:

FNUQJWPIADDMRS-UHFFFAOYSA-N

About the compound:

4,6-dimethyldodecane is an alkane that is dodecane substituted by methyl groups at positions 4 and 6. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a dodecane.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	198.39 g/mol
XLogP3-AA	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	198.234750957 g/mol
Monoisotopic Mass	198.234750957 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Plumbago zeylanica
Dioscorea dumetorum

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