ChemSpider 2D Image | Hopene II | C30H50

Hopene II

  • Molecular FormulaC30H50
  • Average mass410.718 Da
  • Monoisotopic mass410.391266 Da
  • ChemSpider ID21170757

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3-Isopropyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysen [German] [ACD/IUPAC Name]
(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3-Isopropyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene [ACD/IUPAC Name]
(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3-Isopropyl-3a,5a,5b,8,8,11a-hexaméthyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadécahydro-1H-cyclopenta[a]chrysène [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene, 2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-3a,5a,5b,8,8,11a-hexamethyl-3-(1-methylethyl)-, (3R,3aR,5aS,5bR,7aS,11aS,11bR)- [ACD/Index Name]
208-759-1 [EINECS]
21681-17-4 [RN]
B':A'-Neogammacer-13(18)-ene
Hopene II
MFCD00216322
B′:A′-Neogammacer-13(18)-ene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

42689_FLUKA [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.2±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 69.8±0.8 kJ/mol
Flash Point: 233.9±14.4 °C
Index of Refraction: 1.527
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 12.91
ACD/LogD (pH 5.5): 11.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 36.2±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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