Dodecane, 2,6,10-trimethyl

Dodecane, 2,6,10-trimethyl
Compound Structure:
Synonyms: 2,6,10-trimethyldodecane; Farnesane; Farnesan; Dodecane, 2,6,10-trimethyl-; 2,6,10-trimethyl-dodecane.
Compound ID: NMPC-983
PubChem ID:

19773
Molecular Formula: C15H32
Canonical SMILES: CCC(C)CCCC(C)CCCC(C)C
InChIKey: YFHFHLSMISYUAQ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H304 (94.83%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

212.41 g/mol

XLogP3-AA

7.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

9

Exact Mass

212.250401021 g/mol

Monoisotopic Mass

212.250401021 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

126

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

Physical Description

Liquid

Vapor Pressure

0.67 [mmHg]

Source: PubChem
Source Species: Plumbago zeylanica
Dioscorea dumetorum
Pentaclethra macrophylla
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