chempirical

1'-Hydroxy-[1,1'-bi(cyclohexan)]-2-one

C12H20O2CAS 28746-99-8196.29 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C12H20O2
Molar mass
196.29 g/mol
Exact mass
196.1463 Da
logP
2.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
28746-99-8
SMILES
C1CCC(CC1)(C2CCCCC2=O)O
InChIKey
AERVJOBGBMEFDV-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2

Weigh it out

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

Names and synonyms

1 names
  • 2-(1-Hydroxycyclohexyl)cyclohexan-1-one

Work with 1'-Hydroxy-[1,1'-bi(cyclohexan)]-2-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

2-tert-Butylcyclohexanone1728-46-752 % similar Sebacoin96-00-445 % similar 2-Cyclohexylcyclohexanone90-42-641 % similar 2-Methylcyclohexanone583-60-838 % similar 2-Bromocyclohexanone822-85-538 % similar 2-Chlorocyclohexanone822-87-738 % similar 2-Hexylcyclopentanone13074-65-238 % similar 2-Heptylcyclopentanone137-03-138 % similar

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

Same formula

Geranyl acetate105-87-3 Linalyl acetate115-95-7 Isobornyl acetate125-12-2 Neryl acetate141-12-8 3,7-Dimethyl-2,6-octadienyl acetate16409-44-2 (+)-Borneol acetate20347-65-3 Allyl cyclohexanepropionate2705-87-5 1-Ethylcyclohexyl methacrylate274248-09-8

Elsewhere

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