ChemSpider 2D Image | (1R,2S,4aS,8aS)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate | C22H32O6

(1R,2S,4aS,8aS)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID113600507

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,4aS,8aS)-1-Acetoxy-7-isopropyliden-1,4a-dimethyl-6-oxodecahydro-2-naphthalinyl-2,3-dimethyl-2-oxirancarboxylat [German] [ACD/IUPAC Name]
(1R,2S,4aS,8aS)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate [ACD/IUPAC Name]
2,3-Diméthyl-2-oxiranecarboxylate de (1R,2S,4aS,8aS)-1-acétoxy-7-isopropylidène-1,4a-diméthyl-6-oxodécahydro-2-naphtalényle [French] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 2,3-dimethyl-, (1R,2S,4aS,8aS)-1-(acetyloxy)decahydro-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl 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: 462.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 197.6±28.8 °C
Index of Refraction: 1.519
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 531.14
ACD/KOC (pH 5.5): 3106.76
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 531.14
ACD/KOC (pH 7.4): 3106.76
Polar Surface Area: 82 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

Click to predict properties on the Chemicalize site


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