ChemSpider 2D Image | Carpanone | C20H18O6

Carpanone

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID21864720
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(7R,8R,8aS,14aR,14bS)-7,8-Dimethyl-7,8,8a,14b-tetrahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-on [ACD/IUPAC Name]
(7R,8R,8aS,14aS,14bS)-7,8-Dimethyl-7,8,8a,14b-tetrahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-on [German] [ACD/IUPAC Name]
(7R,8R,8aS,14aS,14bS)-7,8-Dimethyl-7,8,8a,14b-tetrahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-one [ACD/IUPAC Name]
(7R,8R,8aS,14aS,14bS)-7,8-Diméthyl-7,8,8a,14b-tétrahydro-5H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthén-5-one [French] [ACD/IUPAC Name]
26430-30-8 [RN]
5H-Benzo[kl][1,3]dioxolo[4,5-b]-1,3-dioxolo[4,5-g]xanthen-5-one, 7,8,8a,14b-tetrahydro-7,8-dimethyl-, (7R,8R,8aS,14aS,14bS)- [ACD/Index Name]
Carpanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 235.9±30.2 °C
Index of Refraction: 1.666
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 446.44
ACD/KOC (pH 5.5): 2743.50
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.44
ACD/KOC (pH 7.4): 2743.50
Polar Surface Area: 63 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 240.6±5.0 cm3

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