ChemSpider 2D Image | (1R,2S,3S,4aS,6S,7R,8aS)-1-Isopropyl-7-methyl-4-methylenedecahydro-2,3,6-naphthalenetriol | C15H26O3

(1R,2S,3S,4aS,6S,7R,8aS)-1-Isopropyl-7-methyl-4-methylenedecahydro-2,3,6-naphthalenetriol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78437504

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,3S,4aS,6S,7R,8aS)-1-Isopropyl-7-methyl-4-methylendecahydro-2,3,6-naphthalintriol [German] [ACD/IUPAC Name]
(1R,2S,3S,4aS,6S,7R,8aS)-1-Isopropyl-7-méthyl-4-méthylènedécahydro-2,3,6-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,2S,3S,4aS,6S,7R,8aS)-1-Isopropyl-7-methyl-4-methylenedecahydro-2,3,6-naphthalenetriol [ACD/IUPAC Name]
2,3,6-Naphthalenetriol, decahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1R,2S,3S,4aS,6S,7R,8aS)- [ACD/Index Name]
Ganomastenol C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 173.8±22.5 °C
Index of Refraction: 1.530
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.50
ACD/KOC (pH 5.5): 363.43
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.50
ACD/KOC (pH 7.4): 363.43
Polar Surface Area: 61 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 231.0±5.0 cm3

Click to predict properties on the Chemicalize site


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