chempirical

Cyclopentanepropanoyl chloride

C8H13ClOCAS 104-97-2160.64 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C8H13ClO
Molar mass
160.64 g/mol
Exact mass
160.0655 Da
Boiling point
66 °C (at 1.5 Torr)
logP
2.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
104-97-2
SMILES
O=C(Cl)CCC1CCCC1
InChIKey
SZQVEGOXJYTLLB-UHFFFAOYSA-N
InChI
InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclopentanepropionyl chloride
  • 3-Cyclopentylpropionyl chloride
  • 3-Cyclopentanepropionyl chloride
  • 3-Cyclopentylpropanoyl chloride
  • 3-Cyclopentylpropionic acid chloride

Work with Cyclopentanepropanoyl chloride

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

Adipoyl chloride111-50-262 % similar Glutaryl chloride2873-74-762 % similar Suberoyl chloride10027-07-359 % similar Sebacoyl chloride111-19-359 % similar Azelaoyl chloride123-98-859 % similar 4-Methylpentanoyl chloride38136-29-754 % similar Succinyl chloride543-20-452 % similar 4-Chlorobutyryl chloride4635-59-052 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook