ChemSpider 2D Image | sipholenol L | C30H52O4

sipholenol L

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID24629697

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-Benzoxepin-3,7-diol, decahydro-2,2,5a,7-tetramethyl-6-[2-(1,4,4a,5,6,7,8,8a-octahydro-5-hydroxy-2,5,8,8-tetramethyl-1-naphthalenyl)ethyl]- [ACD/Index Name]
6-[2-(5-Hydroxy-2,5,8,8-tétraméthyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl)éthyl]-2,2,5a,7-tétraméthyldécahydro-1-benzoxépine-3,7-diol [French] [ACD/IUPAC Name]
6-[2-(5-Hydroxy-2,5,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)ethyl]-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol [ACD/IUPAC Name]
6-[2-(5-Hydroxy-2,5,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl)ethyl]-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-3,7-diol [German] [ACD/IUPAC Name]
sipholenol L

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

Density: 1.0±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 299.9±30.1 °C
Index of Refraction: 1.503
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63756.29
ACD/KOC (pH 5.5): 95644.18
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63756.29
ACD/KOC (pH 7.4): 95644.18
Polar Surface Area: 70 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 469.9±3.0 cm3

Click to predict properties on the Chemicalize site


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