chempirical

4-Oxo-cyclohexanecarboxaldehyde

C7H10O2CAS 96184-81-5126.15 g/mol

Open in Covalent MOL file
OO
AldehydeKetone

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
logP
0.94Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96184-81-5
SMILES
C1CC(=O)CCC1C=O
InChIKey
SFNKUFOBKQJUEB-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2

Weigh it out

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Names and synonyms

1 names
  • 4-Oxocyclohexane-1-carbaldehyde

Work with 4-Oxo-cyclohexanecarboxaldehyde

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

Cyclopropanecarboxaldehyde1489-69-655 % similar Cyclobutanecarboxaldehyde2987-17-950 % similar Cyclopentanecarboxaldehyde872-53-750 % similar Cyclohexanecarboxaldehyde2043-61-048 % similar Cyclooctanecarbaldehyde6688-11-548 % similar 4-(Trifluoromethyl)cyclohexanone75091-99-544 % similar 4-Hydroxycyclohexanone13482-22-944 % similar Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-844 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

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