2,2-Dimethylcyclopentanone

C7H12OCAS 4541-32-6112.17 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
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
4541-32-6
SMILES
CC1(CCCC1=O)C
InChIKey
FTGZMZBYOHMEPS-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3

Weigh it out

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

Work with 2,2-Dimethylcyclopentanone

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

2,2-Dimethylcyclohexane-1,3-dione562-13-050 % similar 2-Chloro-2-methylcyclohexan-1-one10409-46-848 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-944 % similar DIHYDRO-beta-IONONE17283-81-742 % similar 2-n-Butyl-2-methylcyclohexanone1197-78-042 % similar Beta-Cyclocitral432-25-741 % similar 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one14901-07-640 % similar β-Ionone79-77-640 % 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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