1-Chloroethyl cyclohexyl carbonate

C9H15ClO3CAS 99464-83-2206.67 g/mol

Open in Covalent MOL file
ClOOO
Alkyl halideCarbonate

Properties

Molecular formula
C9H15ClO3
Molar mass
206.67 g/mol
Exact mass
206.0710 Da
logP
3.06Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 607-667-00-2), via PubChem.

Precautionary statements

P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
99464-83-2
SMILES
CC(Cl)OC(=O)OC1CCCCC1
InChIKey
ONZWFHWHTYZZLM-UHFFFAOYSA-N
InChI
InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Carbonic acid, 1-chloroethyl cyclohexyl ester
  • Cyclohexyl 1-chloroethyl carbonate
  • 1-(Cyclohexyloxycarbonyloxy)ethyl chloride
  • 1-[[(Cyclohexyloxy)carbonyl]oxy]-1-chloroethane
  • Carbonic acid 1-chloroethyl ester cyclohexyl ester
  • Cilexetil chloride

Work with 1-Chloroethyl cyclohexyl carbonate

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

1-Chloroethyl 1-methylethyl carbonate98298-66-958 % similar α-Chlorodiethyl carbonate50893-36-253 % similar Cyclohexyl carbonochloridate13248-54-945 % similar Cyclohexyl acetate622-45-745 % similar Cyclohexyl isovalerate7774-44-944 % similar Cyclopentyl 2,5-dioxo-1-pyrrolidinyl carbonate128595-07-343 % similar Cyclohexyl propionate6222-35-143 % similar Cyclopentyl chloroformate50715-28-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 7-chloro-2-oxoheptanoate78834-75-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook