ChemSpider 2D Image | (4S,4aR,6aR,6bS,8aR,11S,12aS,12bR,14aR,14bR)-11-(Hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethylicosahydro-3(2H)-picenone | C30H50O2

(4S,4aR,6aR,6bS,8aR,11S,12aS,12bR,14aR,14bR)-11-(Hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethylicosahydro-3(2H)-picenone

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID82964331

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4S,4aR,6aR,6bS,8aR,11S,12aS,12bR,14aR,14bR)-11-(Hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethylicosahydro-3(2H)-picenon [German] [ACD/IUPAC Name]
(4S,4aR,6aR,6bS,8aR,11S,12aS,12bR,14aR,14bR)-11-(Hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethylicosahydro-3(2H)-picenone [ACD/IUPAC Name]
(4S,4aR,6aR,6bS,8aR,11S,12aS,12bR,14aR,14bR)-11-(Hydroxyméthyl)-4,4a,6b,8a,11,12b,14a-heptaméthylicosahydro-3(2H)-picénone [French] [ACD/IUPAC Name]
3(2H)-Picenone, eicosahydro-11-(hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethyl-, (4S,4aR,6aR,6bS,8aR,11S,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: 514.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 217.4±15.2 °C
Index of Refraction: 1.511
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 779460.69
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 779460.69
Polar Surface Area: 37 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 441.6±3.0 cm3

Click to predict properties on the Chemicalize site


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