i-Propyl 14-methyl-pentadecanoate

Compound Structure:

Synonyms:

propan-2-yl 14-methylpentadecanoate; i-Propyl 14-methyl-pentadecanoate

Compound ID:

NMPC-1143

PubChem ID:

Molecular Formula:

C19H38O2

Canonical SMILES:

CC(C)CCCCCCCCCCCCC(=O)OC(C)C

InChIKey:

CXHAYMQVPFWTFL-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	298.5 g/mol
XLogP3-AA	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	298.287180451 g/mol
Monoisotopic Mass	298.287180451 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	234
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:

Lagenaria siceraria

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