ChemSpider 2D Image | (1R,4aR,6R,8aS)-1-Hydroxy-6-isopropyl-8a-methyl-4-methyleneoctahydro-4a(2H)-naphthalenyl acetate | C17H28O3

(1R,4aR,6R,8aS)-1-Hydroxy-6-isopropyl-8a-methyl-4-methyleneoctahydro-4a(2H)-naphthalenyl acetate

  • Molecular FormulaC17H28O3
  • Average mass280.402 Da
  • Monoisotopic mass280.203857 Da
  • ChemSpider ID44210893

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4aR,6R,8aS)-1-Hydroxy-6-isopropyl-8a-methyl-4-methyleneoctahydro-4a(2H)-naphthalenyl acetate [ACD/IUPAC Name]
(1R,4aR,6R,8aS)-1-Hydroxy-6-isopropyl-8a-methyl-4-methylenoctahydro-4a(2H)-naphthalinyl-acetat [German] [ACD/IUPAC Name]
1,4a(2H)-Naphthalenediol, octahydro-8a-methyl-4-methylene-6-(1-methylethyl)-, 4a-acetate, (1R,4aR,6R,8aS)- [ACD/Index Name]
Acétate de (1R,4aR,6R,8aS)-1-hydroxy-6-isopropyl-8a-méthyl-4-méthylèneoctahydro-4a(2H)-naphtalényle [French] [ACD/IUPAC 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: 349.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.7±6.0 kJ/mol
Flash Point: 131.6±20.7 °C
Index of Refraction: 1.502
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 427.63
ACD/KOC (pH 5.5): 2660.25
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 427.63
ACD/KOC (pH 7.4): 2660.25
Polar Surface Area: 47 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

Click to predict properties on the Chemicalize site


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