ChemSpider 2D Image | (4aR,5S,8S,8aR)-8-Hydroxy-5-isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C15H24O2

(4aR,5S,8S,8aR)-8-Hydroxy-5-isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID76787705

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,5S,8S,8aR)-8-Hydroxy-5-isopropyl-3,8-diméthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,5S,8S,8aR)-8-Hydroxy-5-isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR,5S,8S,8aR)-8-Hydroxy-5-isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-8-hydroxy-3,8-dimethyl-5-(1-methylethyl)-, (4aR,5S,8S,8aR)- [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: 351.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 150.0±17.4 °C
Index of Refraction: 1.499
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.38
ACD/KOC (pH 5.5): 1676.63
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.38
ACD/KOC (pH 7.4): 1676.63
Polar Surface Area: 37 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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