chempirical

2-sec-Butylcyclohexanone

C10H18OCAS 14765-30-1154.25 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.9152 g/mL (at 20 °C)
Boiling point
76–78 °C (at 8 Torr)
logP
2.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
14765-30-1
SMILES
CCC(C)C1CCCCC1=O
InChIKey
RQXTZKGDMNIWJF-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Cyclohexanone, 2-(1-methylpropyl)-
  • Cyclohexanone, 2-sec-butyl-
  • 2-(1-Methylpropyl)cyclohexanone
  • NSC 21146
  • Freskomenthe
  • Frescomenthe
  • 2-(sec-Butyl)cyclohexan-1-one
  • 2-Butan-2-ylcyclohexan-1-one
  • 2-(Butan-2-yl)cyclohexan-1-one

Work with 2-sec-Butylcyclohexanone

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-Cyclohexylcyclohexanone90-42-652 % similar 2-Cyclopentylcyclopentanone4884-24-648 % similar 2-Methylcyclohexanone583-60-848 % similar 2-Methylcyclopentanone1120-72-541 % similar 2-tert-Butylcyclohexanone1728-46-740 % similar 2-Acetylcyclohexanone874-23-740 % similar 2-Bromocyclohexanone822-85-539 % similar 2-Hexylcyclopentanone13074-65-239 % similar

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

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook