chempirical

4-Hydroxycyclohexanone

C6H10O2CAS 13482-22-9114.14 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Boiling point
83–85 °C
logP
0.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
13482-22-9
SMILES
O=C1CCC(O)CC1
InChIKey
BXBJZYXQHHPVGO-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2

Weigh it out

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

Names and synonyms

3 names
  • Cyclohexanone, 4-hydroxy-
  • p-Hydroxycyclohexanone
  • 4-Hydroxycyclohexan-1-one

Work with 4-Hydroxycyclohexanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Oxocyclohexanecarboxylic acid874-61-348 % similar 4-Methylcyclohexanone589-92-448 % similar Cyclopropanol16545-68-944 % similar 1,4-Cyclohexanediol556-48-944 % similar trans-1,4-Cyclohexanediol6995-79-544 % similar 4-Isopropylcyclohexanone5432-85-944 % similar 4-Ethylcyclohexanone5441-51-044 % similar 4-Hydroxycyclohexanecarboxylic acid17419-81-742 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook