ChemSpider 2D Image | (2R,4aS,5S,8aR)-5-[(2R)-1-Hydroxy-2-propanyl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydro-2-naphthalenol | C15H24O2

(2R,4aS,5S,8aR)-5-[(2R)-1-Hydroxy-2-propanyl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydro-2-naphthalenol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78442284

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4aS,5S,8aR)-5-[(2R)-1-Hydroxy-2-propanyl]-3,8-diméthyl-1,2,4a,5,6,8a-hexahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(2R,4aS,5S,8aR)-5-[(2R)-1-Hydroxy-2-propanyl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydro-2-naphthalenol [ACD/IUPAC Name]
(2R,4aS,5S,8aR)-5-[(2R)-1-Hydroxy-2-propanyl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydro-2-naphthalinol [German] [ACD/IUPAC Name]
1-Naphthaleneethanol, 1,2,4a,5,6,8a-hexahydro-6-hydroxy-β,4,7-trimethyl-, (βR,1S,4aR,6R,8aS)- [ACD/Index Name]
(+)-(1R,3R,6S,7S,11R)-3,12-dihydroxy-α-muurolene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 169.8±22.5 °C
Index of Refraction: 1.525
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.55
ACD/KOC (pH 5.5): 943.86
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.55
ACD/KOC (pH 7.4): 943.86
Polar Surface Area: 40 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


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