Methyl 8-octadecenoate

Methyl 8-octadecenoate
Compound Structure:
Synonyms: Methyl (E)-octadec-8-enoate; 8-Octadecenoic acid, methyl ester; Methyl 8-octadecenoate; Methyl trans-8-octadecenoate.
Compound ID: NMPC-1244
PubChem ID:

5364422
Molecular Formula: C19H36O2
Canonical SMILES: CCCCCCCCCC=CCCCCCCC(=O)OC
InChIKey: KXOOHHMDCDXCBV-VAWYXSNFSA-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: Vernonia blumeoides
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