Decanoic acid, methyl ester

Compound Structure:

Synonyms:

Capric acid methyl ester; Decanoic acid, methyl ester; Methyl caprate; Methyl caprinate; Methyl decanoate; Methyl n-caprate; Methyl n-decanoate; Methyl-n-caprate; decanoic acid-methyl ester; n-Capric acid methyl ester

Compound ID:

NMPC-953

PubChem ID:

8050

Molecular Formula:

C11H22O2

Canonical SMILES:

CCCCCCCCCC(=O)OC

InChIKey:

YRHYCMZPEVDGFQ-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	186.29 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	186.161979940 g/mol
Monoisotopic Mass	186.161979940 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
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
Physical Description	Liquid
Boiling Point	224 °C @ 760 mm Hg
Melting Point	-18 °C
Density	0.8730 @ 20 °C/4 °C
Solubility	Insol in water; very sol in ethyl alc, ether; slightly sol in chloroform, carbon tetrachloride
Vapor Pressure	0.03 [mmHg]

Source: PubChem

Source Species:

Adansonia digitata

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