Undecanoic acid, 10-methyl-, methyl ester

Compound Structure:

Synonyms:

Methyl 10-methylundecanoate ;5129-56-6; Undecanoic acid, 10-methyl-, methyl ester ;10-Methylundecanoic acid methyl ester; Methyl 10-methylundecanoate #

Compound ID:

NMPC-1581

PubChem ID:

554144

Molecular Formula:

C13H26O2

Canonical SMILES:

CC(C)CCCCCCCCC(=O)OC

InChIKey:

XPVCTJYIICVJOE-UHFFFAOYSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	214.34 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	214.193280068 g/mol
Monoisotopic Mass	214.193280068 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	153
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:

Urena lobata

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