ChemSpider 2D Image | Diethyl [(3aS,5aR,6R,9aS,9bS)-3a-ethyl-5-methylene-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]phosphonate | C20H31O5P

Diethyl [(3aS,5aR,6R,9aS,9bS)-3a-ethyl-5-methylene-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]phosphonate

  • Molecular FormulaC20H31O5P
  • Average mass382.431 Da
  • Monoisotopic mass382.190918 Da
  • ChemSpider ID30780281

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3aS,5aR,6R,9aS,9bS)-3a-Éthyl-5-méthylène-3,7-dioxododécahydro-1H-cyclopenta[a]naphtalén-6-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(3aS,5aR,6R,9aS,9bS)-3a-ethyl-5-methylene-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[(3aS,5aR,6R,9aS,9bS)-3a-ethyl-5-methylen-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalin-6-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3aS,5aR,6R,9aS,9bS)-3a-ethyldodecahydro-5-methylene-3,7-dioxo-1H-benz[e]inden-6-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 275.1±50.4 °C
Index of Refraction: 1.507
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.35
ACD/KOC (pH 5.5): 331.96
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.35
ACD/KOC (pH 7.4): 331.96
Polar Surface Area: 79 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 330.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement