3-Hydroxy-1-cyclohexene-1-carboxaldehyde

C₇H₁₀O₂CAS 67252-14-6126.15 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Alkene

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
logP: 0.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

Weigh it out

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

Names and synonyms

3 names

3-Hydroxycyclohexene-1-carbaldehyde
3-Hydroxy-1-cyclohexene-1-carbaldehyde
3-Hydroxy-cyclohexene-1-carbaldehyde

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

2-Hydroxyadipaldehyde141-31-135 % similar 2-Cyclohexen-1-ol822-67-332 % similar 4-Hydroxynonenal29343-52-031 % similar 4-Hydroxynonenal75899-68-231 % 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-cyclopentanedione13494-06-9 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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