ChemSpider 2D Image | (1R,2S,3S,4aS,6R,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3,6-naphthalenetriol | C15H24O3

(1R,2S,3S,4aS,6R,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3,6-naphthalenetriol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID78437681

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3S,4aS,6R,8aS)-1-Isopropyl-7-methyl-4-methylen-1,2,3,4,4a,5,6,8a-octahydro-2,3,6-naphthalintriol [German] [ACD/IUPAC Name]
(1R,2S,3S,4aS,6R,8aS)-1-Isopropyl-7-méthyl-4-méthylène-1,2,3,4,4a,5,6,8a-octahydro-2,3,6-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,2S,3S,4aS,6R,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-2,3,6-naphthalenetriol [ACD/IUPAC Name]
2,3,6-Naphthalenetriol, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1R,2S,3S,4aS,6R,8aS)- [ACD/Index Name]
Ganomastenol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 181.9±22.5 °C
Index of Refraction: 1.549
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.36
ACD/KOC (pH 5.5): 352.09
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.36
ACD/KOC (pH 7.4): 352.09
Polar Surface Area: 61 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 223.5±5.0 cm3

Click to predict properties on the Chemicalize site


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