Methyl 18 methylnonadecanoate

Methyl 18 methylnonadecanoate
Compound Structure:
Synonyms: Methyl 18-methylnonadecanoate; 18-METHYLNONADECANOIC ACID METHYL ESTER; Nonadecanoic acid, 18-methyl, methyl ester.
Compound ID: NMPC-1242
PubChem ID:

530340
Molecular Formula: C21H42O2
Canonical SMILES: CC(C)CCCCCCCCCCCCCCCCC(=O)OC
InChIKey: IVHQIMJNEKWLSS-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

326.6 g/mol

XLogP3

9.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

18

Exact Mass

326.318480578 g/mol

Monoisotopic Mass

326.318480578 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

248

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: Nicotiana tabacum
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