ChemSpider 2D Image | (4aR,6R,8aS)-6-[(2R)-1,2-Dihydroxy-2-propanyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C15H24O3

(4aR,6R,8aS)-6-[(2R)-1,2-Dihydroxy-2-propanyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID44210920

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4aR,6R,8aS)-6-[(2R)-1,2-Dihydroxy-2-propanyl]-4,8a-diméthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,6R,8aS)-6-[(2R)-1,2-Dihydroxy-2-propanyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR,6R,8aS)-6-[(2R)-1,2-Dihydroxy-2-propanyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 6-[(1R)-1,2-dihydroxy-1-methylethyl]-4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-, (4aR,6R,8aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 217.7±17.7 °C
Index of Refraction: 1.531
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.37
ACD/KOC (pH 5.5): 198.33
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.37
ACD/KOC (pH 7.4): 198.33
Polar Surface Area: 58 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 225.7±3.0 cm3

Click to predict properties on the Chemicalize site


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