Cyclopentyl methyl ketone

C7H12OCAS 6004-60-0112.17 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
logP
1.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number
6004-60-0
SMILES
CC(=O)C1CCCC1
InChIKey
LKENTYLPIUIMFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Cyclopentyl-ethanone

Work with Cyclopentyl methyl ketone

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

Cyclohexyl methyl ketone823-76-794 % similar Cyclopropyl methyl ketone765-43-578 % similar 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-561 % similar 2-Acetylcyclohexanone874-23-748 % similar Cyclohexyl ketone119-60-845 % similar 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-945 % similar 2-Acetylcyclopentanone1670-46-844 % similar 1-(Oxolan-2-yl)ethan-1-one25252-64-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

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