Hexadecanoic acid, 15-methyl, methyl ester

Compound Structure:

Synonyms:

Methyl 15-methylhexadecanoate; Methyl isoheptadecanoate; Hexadecanoic acid, 15-methyl-, methyl ester; Methyl 15-methylpalmitate; 15-Methylhexadecanoic acid methyl ester

Compound ID:

NMPC-1118

PubChem ID:

522345

Molecular Formula:

C18H36O2

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(=O)OC

InChIKey:

BNHKXOIJKIMOJH-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	284.5 g/mol
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	284.271530387 g/mol
Monoisotopic Mass	284.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	212
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:

Vernonia blumeoides

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