ChemSpider 2D Image | (1R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl acetate | C22H32O4

(1R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl acetate

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID30827567

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl acetate [ACD/IUPAC Name]
(1R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[2-[(4R,4aS,8aS)-4-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
Acétate de (1R,4aS,8aS)-3,4a,8,8-tétraméthyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényle [French] [ACD/IUPAC 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: 473.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 231.6±27.1 °C
Index of Refraction: 1.526
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3980.22
ACD/KOC (pH 5.5): 13134.31
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3980.22
ACD/KOC (pH 7.4): 13134.31
Polar Surface Area: 53 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 327.9±5.0 cm3

Click to predict properties on the Chemicalize site


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