Methyl 5-chloropentanoate

C6H11ClO2CAS 14273-86-0150.60 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 Dimethyladipate627-93-074 % similar Dimethyl sebacate106-79-671 % similar Dimethyl octadecanedioate1472-93-171 % similar 1,12-Dimethyl dodecanedioate1731-79-971 % similar Dimethyl pimelate1732-08-771 % similar Dimethyl suberate1732-09-871 % similar Dimethyl azelate1732-10-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl chloroacetate107-59-5 Chloromethyl pivalate18797-19-8 Chloromethyl pivalate18997-19-8 (S)-2-Chloro-4-methyl-N-valeric acid28659-81-6 Ethyl 4-chlorobutyrate3153-36-4 6-Chlorohexanoic acid4224-62-8 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-7 (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-3

Elsewhere

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