cis-13-Octadecenoic acid, methyl ester

cis-13-Octadecenoic acid, methyl ester
Compound Structure:
Synonyms: (Z)-13-Octadecenoic acid methyl ester;methyl (Z)-octadec-13-enoate;13058-55-4;cis-13-Octadecenoic acid, methyl ester;Methyl 13(Z)-Octadecenoat
Compound ID: NMPC-760
PubChem ID:

12541027
Molecular Formula: C19H36O2
Canonical SMILES: CCCCC=CCCCCCCCCCCCC(=O)OC
InChIKey: OPLQDSJPOHPOSZ-SREVYHEPSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

296.5 g/mol

XLogP3-AA

7.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

16

Exact Mass

296.271530387 g/mol

Monoisotopic Mass

296.271530387 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

246

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Plumbago zeylanica
Urena lobata
Parkia biglobosa
Download SDF