chempirical

4,4-Dimethyl-2-cyclopenten-1-one

C7H10OCAS 22748-16-9110.16 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C7H10O
Molar mass
110.16 g/mol
Exact mass
110.0732 Da
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
22748-16-9
SMILES
CC1(CC(=O)C=C1)C
InChIKey
YVFVCSCZJJGBAK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3

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

Names and synonyms

8 names
  • 4,4-Dimethylcyclopent-2-en-1-one
  • 4,4-Dimethylcyclopent-2-enone
  • 4,4-Dimethyl-2-cyclopentenone
  • 4,4-Dimethyl-2-cyclopentene-1-one
  • 4,4-Dimethylcyc
  • 2-Cyclopenten-1-one, 4,4-dimethyl-
  • 4,4-Dimethylcyclopentenone
  • 4,4-Dimethyl-cyclopent-2-en-1-one

Work with 4,4-Dimethyl-2-cyclopenten-1-one

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

4,4-Dimethyl-2-cyclohexen-1-one1073-13-862 % similar Isophorone78-59-134 % similar 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-033 % similar Ketoisophorone1125-21-932 % similar Methyl 3,3-dimethyl-4-pentenoate63721-05-131 % similar 4-Hexen-3-one2497-21-431 % similar

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

Same formula

Tetrahydrobenzaldehyde100-50-5 Dicyclopropyl ketone1121-37-5 2-Cyclohepten-1-one1121-66-0 1-Cyclohexene-1-carboxaldehyde1192-88-7 3-Methyl-2-cyclohexen-1-one1193-18-6 4-Ethynyltetrahydro-2H-py...1202245-65-5 5-Norbornen-2-ol13080-90-5 1-Ethynylcyclopentanol17356-19-3

Elsewhere

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