ChemSpider 2D Image | (3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)-4,4a,6b,8a,11,11,12b,14a-Octamethyldocosahydro-3-picenol | C30H52O

(3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)-4,4a,6b,8a,11,11,12b,14a-Octamethyldocosahydro-3-picenol

  • Molecular FormulaC30H52O
  • Average mass428.733 Da
  • Monoisotopic mass428.401825 Da
  • ChemSpider ID82964142

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)-4,4a,6b,8a,11,11,12b,14a-Octamethyldocosahydro-3-picenol [German] [ACD/IUPAC Name]
(3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)-4,4a,6b,8a,11,11,12b,14a-Octamethyldocosahydro-3-picenol [ACD/IUPAC Name]
(3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)-4,4a,6b,8a,11,11,12b,14a-Octaméthyldocosahydro-3-picénol [French] [ACD/IUPAC Name]
3-Picenol, docosahydro-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (3S,4S,4aR,6aR,6bS,8aS,12aS,12bR,14aR,14bR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 478.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 199.6±12.3 °C
Index of Refraction: 1.509
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.45
ACD/LogD (pH 5.5): 10.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9389200.00
ACD/LogD (pH 7.4): 10.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9389200.00
Polar Surface Area: 20 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

Click to predict properties on the Chemicalize site


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