4-Oxo-cyclohexanecarboxaldehyde

C₇H₁₀O₂CAS 96184-81-5126.15 g/mol

Open in Covalent MOL file

Aldehyde Ketone

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
logP: 0.94Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H227 Combustible liquid100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

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

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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