2-Methylpropyl 5-chloro-2,2-dimethylpentanoate

C₁₁H₂₁ClO₂CAS 109232-37-3220.74 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₁H₂₁ClO₂
Molar mass: 220.74 g/mol
Exact mass: 220.1230 Da
logP: 3.23Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

109232-37-3

SMILES

CC(C)COC(=O)C(C)(C)CCCCl

InChIKey

KPAZLWVDWUAYII-UHFFFAOYSA-N

InChI

InChI=1S/C11H21ClO2/c1-9(2)8-14-10(13)11(3,4)6-5-7-12/h9H,5-8H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Pentanoic acid, 5-chloro-2,2-dimethyl-, 2-methylpropyl ester
Isobutyl 5-chloro-2,2-dimethylvalerate
Isobutyl 5-chloro-2,2-dimethylpentanoate

Work with 2-Methylpropyl 5-chloro-2,2-dimethylpentanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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