ChemSpider 2D Image | (-)-α-CUBEBENE | C15H24

(-)-α-CUBEBENE

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID24846711

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(-)-α-CUBEBENE
(3aS,3bR,4S,7R)-4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene [ACD/IUPAC Name]
(3aS,3bR,4S,7R)-4-Isopropyl-3,7-diméthyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzène [French] [ACD/IUPAC Name]
(3aS,3bR,4S,7R)-4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzol [German] [ACD/IUPAC Name]
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R)- [ACD/Index Name]
(-)-α-CUBEBENE
UNII-438H9S5RG9
α-CUBEBENE
α-CUBEBENE, (-)-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 266.3±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.4±0.8 kJ/mol
Flash Point: 113.0±6.6 °C
Index of Refraction: 1.512
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17387.26
ACD/KOC (pH 5.5): 37735.02
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17387.26
ACD/KOC (pH 7.4): 37735.02
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 31.4±5.0 dyne/cm
Molar Volume: 216.4±5.0 cm3

Click to predict properties on the Chemicalize site


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