ChemSpider 2D Image | Methyl (1aS,4E,10aR,11E,14aS)-1a,8,12-trimethyl-9-oxo-1a,2,3,6,7,9,10a,13,14,14a-decahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-5-carboxylate | C21H28O5

Methyl (1aS,4E,10aR,11E,14aS)-1a,8,12-trimethyl-9-oxo-1a,2,3,6,7,9,10a,13,14,14a-decahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-5-carboxylate

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID40256729

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aS,4E,10aR,11E,14aS)-1a,8,12-Triméthyl-9-oxo-1a,2,3,6,7,9,10a,13,14,14a-décahydrooxiréno[9,10]cyclotétradéca[1,2-b]furane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1aS,4E,10aR,11E,14aS)-1a,8,12-trimethyl-9-oxo-1a,2,3,6,7,9,10a,13,14,14a-decahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-5-carboxylate [ACD/IUPAC Name]
Methyl-(1aS,4E,10aR,11E,14aS)-1a,8,12-trimethyl-9-oxo-1a,2,3,6,7,9,10a,13,14,14a-decahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-5-carboxylat [German] [ACD/IUPAC Name]
Oxireno[9,10]cyclotetradeca[1,2-b]furan-5-carboxylic acid, 1a,2,3,6,7,9,10a,13,14,14a-decahydro-1a,8,12-trimethyl-9-oxo-, methyl ester, (1aS,4E,10aR,11E,14aS)- [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: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 226.1±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.84
ACD/KOC (pH 5.5): 1267.80
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.84
ACD/KOC (pH 7.4): 1267.80
Polar Surface Area: 65 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 310.5±5.0 cm3

Click to predict properties on the Chemicalize site


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