Undecanoic acid,2-methyl-,methyl ester

Compound Structure:

Synonyms:

Methyl 2-methylundecanoate ;55955-69-6; Methyl ester of 2-methylundecanoic acid; Undecanoic acid, 2-methyl-, methyl ester Methyl 2-methylundecanoate #

Compound ID:

NMPC-1583

PubChem ID:

560440

Molecular Formula:

C13H26O2

Canonical SMILES:

CCCCCCCCCC(C)C(=O)OC

InChIKey:

KGVPRVBZKYLXFP-UHFFFAOYSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	214.34 g/mol
XLogP3-AA	5.3
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	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Tectona grandis

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