ChemSpider 2D Image | (4S,4aR,8aR)-4,6-Dimethyl-1-methylene-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalen(~2~H)ol | C13H19DO

(4S,4aR,8aR)-4,6-Dimethyl-1-methylene-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalen(2H)ol

  • Molecular FormulaC13H19DO
  • Average mass193.303 Da
  • Monoisotopic mass193.157700 Da
  • ChemSpider ID9439030

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aR,8aR)-4,6-Dimethyl-1-methylen-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalin(2H)ol [German] [ACD/IUPAC Name]
(4S,4aR,8aR)-4,6-Diméthyl-1-méthylène-1,3,4,7,8,8a-hexahydro-4a(2H)-naphtalén(2H)ol [French] [ACD/IUPAC Name]
(4S,4aR,8aR)-4,6-Dimethyl-1-methylene-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalen(2H)ol [ACD/IUPAC Name]
4a(2H)-Naphthalenol-d, 1,3,4,7,8,8a-hexahydro-4,6-dimethyl-1-methylene-, (4S,4aR,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: 285.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.9±6.0 kJ/mol
Flash Point: 115.3±13.7 °C
Index of Refraction: 1.521
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.28
ACD/KOC (pH 5.5): 2804.11
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.28
ACD/KOC (pH 7.4): 2804.11
Polar Surface Area: 20 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 193.2±5.0 cm3

Click to predict properties on the Chemicalize site


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