Pentadecanoic acid, 14-methyl-, methyl ester

Compound Structure:

Synonyms:

Methyl 14-methylpentadecanoate ;5129-60-2 ;Pentadecanoic acid, 14-methyl-, methyl ester ;METHYL14-METHYLPENTADECANOATE; 14-Methylpentadecanoic acid methyl ester

Compound ID:

NMPC-1389

PubChem ID:

21205

Molecular Formula:

C17H34O2

Canonical SMILES:

CC(C)CCCCCCCCCCCCC(=O)OC

InChIKey:

WAKCWJNDXBPEBP-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	270.5 g/mol
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	270.255880323 g/mol
Monoisotopic Mass	270.255880323 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	199
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:

Anacardium occidentale
Annona senegalensis
Nymphaea lotus
Senna tora
Urena lobata

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