chempirical

(S)-Verbenone

C10H14OCAS 1196-01-6150.22 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.98 g/mL (at 15 °C)
Boiling point
227.5 °C
logP
2.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1196-01-6
SMILES
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
InChIKey
DCSCXTJOXBUFGB-JGVFFNPUSA-N
InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-
  • 2-Pinen-4-one, (1S,5S)-(-)-
  • Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-
  • (1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
  • (-)-Verbenone
  • (S)-(-)-Verbenone
  • (1S,5S)-(-)-Verbenone
  • (1S,5S)-Verbenone
  • (1S)-(-)-cis-Verbenone
  • (1S)-Verbenone
  • NSC 6831
  • (1S)-(-)-Verbenone
  • Levoverbenone
  • L(-)-Verbenone

Work with (S)-Verbenone

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

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8 Perillaldehyde2111-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook