ChemSpider 2D Image | (4aS,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene | C30H50

(4aS,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene

  • Molecular FormulaC30H50
  • Average mass410.718 Da
  • Monoisotopic mass410.391266 Da
  • ChemSpider ID65791505

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen [German] [ACD/IUPAC Name]
(4aS,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene [ACD/IUPAC Name]
(4aS,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octaméthyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicène [French] [ACD/IUPAC Name]
Picene, 1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-eicosahydro-2,2,4a,6b,9,9,12a,14a-octamethyl-, (4aR,6bR,8aS,12aS,12bR,14aS,14bR)- [ACD/Index Name]
D-Friedoolean-14-ene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 461.1±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 69.4±0.8 kJ/mol
Flash Point: 232.3±14.4 °C
Index of Refraction: 1.529
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 13.10
ACD/LogD (pH 5.5): 11.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 36.5±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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