3-methyldodecane

3-methyldodecane
Compound Structure:
Synonyms: 3-METHYLDODECANE;17312-57-1;Dodecane, 3-methyl-;xi-3-Methyldodecane;DODECANE,3-METHYL-;F3L2C5FRG8;UNII-F3L2C5FRG8
Compound ID: NMPC-368
PubChem ID:

28469
Molecular Formula: C13H28
Canonical SMILES: CCCCCCCCCC(C)CC
InChIKey: GRJUENNHVNYCHD-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

Property Name

Property Value

Molecular Weight

184.36 g/mol

XLogP3-AA

7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

9

Exact Mass

184.219100893 g/mol

Monoisotopic Mass

184.219100893 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

86

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Tecoma stans
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