ChemSpider 2D Image | (1R,2R,8aS)-1-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenol | C20H36O2

(1R,2R,8aS)-1-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenol

  • Molecular FormulaC20H36O2
  • Average mass308.499 Da
  • Monoisotopic mass308.271515 Da
  • ChemSpider ID113600602

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2R,8aS)-1-[(3Z)-5-Hydroxy-3-méthyl-3-pentén-1-yl]-2,5,5,8a-tétraméthyldécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(1R,2R,8aS)-1-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenol [ACD/IUPAC Name]
(1R,2R,8aS)-1-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-2,5,5,8a-tetramethyldecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
2-Naphthalenol, decahydro-1-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-2,5,5,8a-tetramethyl-, (1R,2R,8aS)- [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: 408.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 174.9±15.8 °C
Index of Refraction: 1.494
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4491.40
ACD/KOC (pH 5.5): 14320.83
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4491.40
ACD/KOC (pH 7.4): 14320.83
Polar Surface Area: 40 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


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