Cyclopentaneundecanoic acid, methyl ester

Compound Structure:

Synonyms:

methyl 11-cyclopentylundecanoate; Methyl dihydrohydnocarpate; cyclopentaneundecanoic acid methyl ester

Compound ID:

NMPC-933

PubChem ID:

Molecular Formula:

C17H32O2

Canonical SMILES:

COC(=O)CCCCCCCCCCC1CCCC1

InChIKey:

JZTLFYKYBAAFSQ-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	268.4 g/mol
XLogP3-AA	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
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	219
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:

Rauvolfia vomitoria

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