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

(1R,4S,4aR,8aR)-4a-Hydroxy-4-isopropyl-1-methyl-6-methylenedecahydro-1-naphthalenyl acetate

  • Molecular FormulaC17H28O3
  • Average mass280.402 Da
  • Monoisotopic mass280.203857 Da
  • ChemSpider ID33823639

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4S,4aR,8aR)-4a-Hydroxy-4-isopropyl-1-methyl-6-methylendecahydro-1-naphthalinyl-acetat [German] [ACD/IUPAC Name]
(1R,4S,4aR,8aR)-4a-Hydroxy-4-isopropyl-1-methyl-6-methylenedecahydro-1-naphthalenyl acetate [ACD/IUPAC Name]
1,4a(2H)-Naphthalenediol, octahydro-1-methyl-6-methylene-4-(1-methylethyl)-, 1-acetate, (1R,4S,4aR,8aR)- [ACD/Index Name]
Acétate de (1R,4S,4aR,8aR)-4a-hydroxy-4-isopropyl-1-méthyl-6-méthylènedécahydro-1-naphtalényle [French] [ACD/IUPAC Name]
[(1R,4S,4aR,8aR)-4a-hydroxy-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl] acetate
10-O-Acetylisocalamendiol
1432064-69-1 [RN]
MFCD20274811

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

Density: 1.0±0.1 g/cm3
Boiling Point: 351.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 133.2±19.3 °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: 3.94
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.02
ACD/KOC (pH 5.5): 2666.46
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.02
ACD/KOC (pH 7.4): 2666.46
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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