ChemSpider 2D Image | Propyl (3R,3aS,5aS,6aR,7aR,7bS,8aS,8bS,8cS)-3-isopropyl-5a,7a-dimethyldodecahydroindeno[4',5':3,4]oxireno[6,7]cyclohepta[1,2-b]oxirene-3a(1H)-carboxylate | C23H36O4

Propyl (3R,3aS,5aS,6aR,7aR,7bS,8aS,8bS,8cS)-3-isopropyl-5a,7a-dimethyldodecahydroindeno[4',5':3,4]oxireno[6,7]cyclohepta[1,2-b]oxirene-3a(1H)-carboxylate

  • Molecular FormulaC23H36O4
  • Average mass376.530 Da
  • Monoisotopic mass376.261353 Da
  • ChemSpider ID28648883

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,3aS,5aS,6aR,7aR,7bS,8aS,8bS,8cS)-3-Isopropyl-5a,7a-diméthyldodécahydroindéno[4',5':3,4]oxiréno[6,7]cyclohepta[1,2-b]oxirène-3a(1H)-carboxylate de propyle [French] [ACD/IUPAC Name]
Propyl (3R,3aS,5aS,6aR,7aR,7bS,8aS,8bS,8cS)-3-isopropyl-5a,7a-dimethyldodecahydroindeno[4',5':3,4]oxireno[6,7]cyclohepta[1,2-b]oxirene-3a(1H)-carboxylate [ACD/IUPAC Name]
Propyl-(3R,3aS,5aS,6aR,7aR,7bS,8aS,8bS,8cS)-3-isopropyl-5a,7a-dimethyldodecahydroindeno[4',5':3,4]oxireno[6,7]cyclohepta[1,2-b]oxiren-3a(1H)-carboxylat [German] [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: 439.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 187.5±28.8 °C
Index of Refraction: 1.524
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3145.05
ACD/KOC (pH 5.5): 11096.77
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3145.05
ACD/KOC (pH 7.4): 11096.77
Polar Surface Area: 51 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 337.0±3.0 cm3

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