chempirical

Chloromethyl 1-methylethyl carbonate

C5H9ClO3CAS 35180-01-9152.57 g/mol

Open in Covalent MOL file
OOOCl
Alkyl halideCarbonate

Properties

Molecular formula
C5H9ClO3
Molar mass
152.57 g/mol
Exact mass
152.0240 Da
Boiling point
66 °C (at 16 Torr)
logP
1.74Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
35180-01-9
SMILES
CC(C)OC(=O)OCCl
InChIKey
JHYNXXBAHWPABC-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3

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

Names and synonyms

6 names
  • Carbonic acid, chloromethyl 1-methylethyl ester
  • Isopropoxycarbonyloxymethyl chloride
  • Chloromethyl isopropyl carbonate
  • [(Isopropyloxycarbonyl)oxy]methyl chloride
  • Isopropyl chloromethyl carbonate
  • Chloromethyl propan-2-yl carbonate

Work with Chloromethyl 1-methylethyl 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

Diisopropyl peroxydicarbonate105-64-654 % similar 1-Chloroethyl 1-methylethyl carbonate98298-66-950 % similar Isopropyl chloroacetate105-48-647 % similar Propylene carbonate108-32-743 % similar (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-643 % similar (4S)-4-Methyl-1,3-dioxolan-2-one51260-39-043 % similar Isopropyl chloroformate108-23-641 % similar Diisopropyl malonate13195-64-741 % similar

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

Same formula

α-Chlorodiethyl carbonate50893-36-2

Elsewhere

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