4-(Hydroxymethyl)cyclohexan-1-one

C₇H₁₂O₂CAS 38580-68-6128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
logP: 0.74Crippen estimate
Polar surface area: 37.3 Å²
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. Search the SDS library

Identifiers

CAS number

38580-68-6

SMILES

C1CC(=O)CCC1CO

InChIKey

KHMBXNKCMNGLKG-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2

Weigh it out

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

Names and synonyms

1 names

4-(Hydroxymethyl)cyclohexanone

Work with 4-(Hydroxymethyl)cyclohexan-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

3-(Hydroxymethyl)cyclobutan-1-one183616-18-457 % similar 4-Ethylcyclohexanone5441-51-052 % similar Cyclohexanedimethanol105-08-850 % similar 4-Hydroxycyclohexanone13482-22-950 % similar Cyclopropanemethanol2516-33-850 % similar trans-1,4-Cyclohexanedimethanol3236-48-450 % similar 4-Propylcyclohexanone40649-36-350 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-748 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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