Methylhexadec-9-enoate

Compound Structure:

Synonyms:

Methyl (E)-hexadec-9-enoate; Methyl palmitelaidate; Palmitelaidic acid methyl ester; Methyl hexadec-9-enoate; 9-Hexadecenoic acid, methyl ester, (9E)-; Methyl hexadec-9-enoate; Palmitelaidic acid-methyl ester; Methyl 9-hexadecenoate

Compound ID:

NMPC-1269

PubChem ID:

638303

Molecular Formula:

C17H32O2

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC

InChIKey:

IZFGRAGOVZCUFB-CMDGGOBGSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	268.4 g/mol
XLogP3-AA	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	268.240230259 g/mol
Monoisotopic Mass	268.240230259 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	221
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:

Scleria depressa

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