Tridecanoic acid, 12-methyl-, methyl ester

Tridecanoic acid, 12-methyl-, methyl ester
Compound Structure:
Synonyms: Methyl 12-methyltridecanoate; 5129-58-8; Methyl isomyristate;Tridecanoic acid, 12-methyl-, methyl ester; B508508OUJ
Compound ID: NMPC-1571
PubChem ID:

21204
Molecular Formula: C15H30O2
Canonical SMILES: CC(C)CCCCCCCCCCC(=O)OC
InChIKey: FLESKWMKPOBWDE-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

242.40 g/mol

XLogP3

6.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

12

Exact Mass

242.224580195 g/mol

Monoisotopic Mass

242.224580195 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

176

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Urena lobata
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