3-Hydroxy-1-cyclohexene-1-carboxaldehyde

C7H10O2CAS 67252-14-6126.15 g/mol

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OOH
AlcoholAldehydeAlkene

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
logP
0.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
67252-14-6
SMILES
C1CC(C=C(C1)C=O)O
InChIKey
URHLBJORXQXSQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h4-5,7,9H,1-3H2

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Names and synonyms

3 names
  • 3-Hydroxycyclohexene-1-carbaldehyde
  • 3-Hydroxy-1-cyclohexene-1-carbaldehyde
  • 3-Hydroxy-cyclohexene-1-carbaldehyde

Reactions

Work with 3-Hydroxy-1-cyclohexene-1-carboxaldehyde

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

1-Cyclohexene-1-carboxaldehyde1192-88-739 % similar 3,4-Dihydro-2H-pyran-5-carbaldehyde25090-33-936 % similar 2-Hydroxyadipaldehyde141-31-135 % similar 2-Cyclohexen-1-ol822-67-332 % similar 4-Hydroxynonenal29343-52-031 % similar 4-Hydroxynonenal75899-68-231 % similar Aldehyde115609-68-230 % 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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