Methyl 5-chloropentanoate

C₆H₁₁ClO₂CAS 14273-86-0150.60 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₆H₁₁ClO₂
Molar mass: 150.60 g/mol
Exact mass: 150.0448 Da
logP: 1.57Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

14273-86-0

SMILES

COC(=O)CCCCCl

InChIKey

JAVHFVJOWIQHII-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

Weigh it out

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

Work with Methyl 5-chloropentanoate

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

Methyl 4-chlorobutyrate3153-37-588 % similar Dimethyl adipate627-93-074 % similar Dimethyl sebacate106-79-671 % similar 1,12-Dimethyl dodecanedioate1731-79-971 % similar Dimethyl pimelate1732-08-771 % similar Dimethyl suberate1732-09-871 % similar Dimethyl azelate1732-10-171 % similar Rhodasolv RPDE NA95481-62-271 % similar

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

Same formula

tert-Butyl chloroacetate107-59-5 Chloromethyl pivalate18997-19-8 Ethyl 4-chlorobutyrate3153-36-4 6-Chlorohexanoic acid4224-62-8 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-7 Butyl chloroacetate590-02-3 Pentyl chloroformate638-41-5 4-Chlorobutyl acetate6962-92-1

Elsewhere

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