ChemSpider 2D Image | (3R,4aS,5R)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone | C15H20O2

(3R,4aS,5R)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID21107337

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4aS,5R)-3-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
(3R,4aS,5R)-3-Hydroxy-5-isopropényl-3,8-diméthyl-4,4a,5,6-tétrahydro-2(3H)-naphtalénone [French] [ACD/IUPAC Name]
(3R,4aS,5R)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone [ACD/IUPAC Name]
(3R,4aS,5R)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalinon [German] [ACD/IUPAC Name]
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-3-hydroxy-3,8-dimethyl-5-(1-methylethenyl)-, (3R,4aS,5R)- [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: 389.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 166.5±20.5 °C
Index of Refraction: 1.541
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.94
ACD/KOC (pH 5.5): 1280.32
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.94
ACD/KOC (pH 7.4): 1280.31
Polar Surface Area: 37 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 216.1±5.0 cm3

Click to predict properties on the Chemicalize site


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