ChemSpider 2D Image | (1R,2S,3S,4aS,8aS)-7-(Hydroxymethyl)-1-isopropyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3-naphthalenediol | C15H24O3

(1R,2S,3S,4aS,8aS)-7-(Hydroxymethyl)-1-isopropyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3-naphthalenediol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID78437163

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3S,4aS,8aS)-7-(Hydroxymethyl)-1-isopropyl-4-methylen-1,2,3,4,4a,5,6,8a-octahydro-2,3-naphthalindiol [German] [ACD/IUPAC Name]
(1R,2S,3S,4aS,8aS)-7-(Hydroxyméthyl)-1-isopropyl-4-méthylène-1,2,3,4,4a,5,6,8a-octahydro-2,3-naphtalènediol [French] [ACD/IUPAC Name]
(1R,2S,3S,4aS,8aS)-7-(Hydroxymethyl)-1-isopropyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3-naphthalenediol [ACD/IUPAC Name]
2,3-Naphthalenediol, 1,2,3,4,4a,5,6,8a-octahydro-7-(hydroxymethyl)-4-methylene-1-(1-methylethyl)-, (1R,2S,3S,4aS,8aS)- [ACD/Index Name]
Ganomastenol D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 186.8±23.3 °C
Index of Refraction: 1.551
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.34
ACD/KOC (pH 5.5): 615.59
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.34
ACD/KOC (pH 7.4): 615.59
Polar Surface Area: 61 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 222.9±5.0 cm3

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