ChemSpider 2D Image | 1-[(1R,3S,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl]ethanone | C12H18O

1-[(1R,3S,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl]ethanone

  • Molecular FormulaC12H18O
  • Average mass178.271 Da
  • Monoisotopic mass178.135757 Da
  • ChemSpider ID61652670
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(1R,3S,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,3S,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl]ethanone [ACD/IUPAC Name]
1-[(1R,3S,6S)-4,7,7-Triméthylbicyclo[4.1.0]hept-4-én-3-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,3S,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl]- [ACD/Index Name]
18680-61-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 236.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 89.7±16.5 °C
Index of Refraction: 1.483
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.08
ACD/KOC (pH 5.5): 1863.52
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.08
ACD/KOC (pH 7.4): 1863.52
Polar Surface Area: 17 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 28.7±3.0 dyne/cm
Molar Volume: 186.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement