Found 7 results

Search term: MF = 'C_{41}H_{30}O_{2}'
ChemSpider 2D Image | (1R,2R,6R,7S)-3-(Diphenylmethylene)-1,7,9-triphenyl-11-oxatricyclo[5.3.1.0~2,6~]undeca-4,9-dien-8-one | C41H30O2

(1R,2R,6R,7S)-3-(Diphenylmethylene)-1,7,9-triphenyl-11-oxatricyclo[5.3.1.02,6]undeca-4,9-dien-8-one

  • Molecular FormulaC41H30O2
  • Average mass554.676 Da
  • Monoisotopic mass554.224609 Da
  • ChemSpider ID10525944

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,6R,7S)-3-(Diphenylmethylen)-1,7,9-triphenyl-11-oxatricyclo[5.3.1.02,6]undeca-4,9-dien-8-on [German] [ACD/IUPAC Name]
(1R,2R,6R,7S)-3-(Diphenylmethylene)-1,7,9-triphenyl-11-oxatricyclo[5.3.1.02,6]undeca-4,9-dien-8-one [ACD/IUPAC Name]
(1R,2R,6R,7S)-3-(Diphénylméthylène)-1,7,9-triphényl-11-oxatricyclo[5.3.1.02,6]undéca-4,9-dién-8-one [French] [ACD/IUPAC Name]
4,8-Epoxyazulen-5(1H)-one, 1-(diphenylmethylene)-3a,4,8,8a-tetrahydro-4,6,8-triphenyl-, (3aR,4S,8R,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 170.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.85
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2047228.38
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2047228.38
Polar Surface Area: 26 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 445.6±3.0 cm3

Click to predict properties on the Chemicalize site


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