ChemSpider 2D Image | (1R,3R,4R,4aS)-4-Hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl acetate | C22H34O5

(1R,3R,4R,4aS)-4-Hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl acetate

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID22913002

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,3R,4R,4aS)-4-Hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl acetate [ACD/IUPAC Name]
(1R,3R,4R,4aS)-4-Hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalinyl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[2-[(1R,2R,4R,8aS)-4-(acetyloxy)decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
Acétate de (1R,3R,4R,4aS)-4-hydroxy-3,4a,8,8-tétraméthyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]décahydro-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: 501.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 166.6±20.8 °C
Index of Refraction: 1.529
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.04
ACD/KOC (pH 5.5): 2811.78
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.04
ACD/KOC (pH 7.4): 2811.78
Polar Surface Area: 73 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 333.2±5.0 cm3

Click to predict properties on the Chemicalize site


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