ChemSpider 2D Image | 4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,8-picenediol | C30H50O2

4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,8-picenediol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID35013562

More details:

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

3,8-Picenediol, 1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-eicosahydro-4,4,6b,8a,11,12,12b,14b-octamethyl- [ACD/Index Name]
4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,8-picendiol [German] [ACD/IUPAC Name]
4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,8-picenediol [ACD/IUPAC Name]
4,4,6b,8a,11,12,12b,14b-Octaméthyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,8-picènediol [French] [ACD/IUPAC Name]
(3β,16α)-7-Baurene-3,16-diol
4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
Bauer-7-ene-3β,16α-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 211.7±24.7 °C
Index of Refraction: 1.549
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 959539.44
ACD/LogD (pH 7.4): 8.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 959539.44
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement