ChemSpider 2D Image | (1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone | C30H50O

(1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID114816048

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenon [German] [ACD/IUPAC Name]
(1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone [ACD/IUPAC Name]
(1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)-1,4b,6a,8,10a,12a-Hexaméthyl-8-(4-méthyl-3-pentén-1-yl)hexadécahydro-2(1H)-chrysénone [French] [ACD/IUPAC Name]
2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-, (1R,4aS,4bR,6aS,8R,10aS,10bS,12aR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 485.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 200.5±15.1 °C
Index of Refraction: 1.498
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 11.00
ACD/LogD (pH 5.5): 10.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8193461.50
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8193461.50
Polar Surface Area: 17 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 453.3±3.0 cm3

Click to predict properties on the Chemicalize site


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