ChemSpider 2D Image | (1S,3E,4R)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | C17H20O

(1S,3E,4R)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC17H20O
  • Average mass240.340 Da
  • Monoisotopic mass240.151413 Da
  • ChemSpider ID34995962

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3E,4R)-3-Benzyliden-1,7,7-trimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,3E,4R)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,3E,4R)-3-Benzylidène-1,7,7-triméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (1S,3E,4R)- [ACD/Index Name]
15087-24-8 [RN]
239-139-9 [EINECS]
3-benzylidene Camphor
UNII-2F60H204CM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 354.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 158.2±10.4 °C
Index of Refraction: 1.589
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 912.66
ACD/KOC (pH 5.5): 4577.10
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 912.66
ACD/KOC (pH 7.4): 4577.10
Polar Surface Area: 17 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 222.7±3.0 cm3

Click to predict properties on the Chemicalize site


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