ChemSpider 2D Image | Methyl 5-{[(methoxycarbonyl)oxy]carbonyl}-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.0~1,10~.0~2,7~]pentadec-8-ene-12-carboxylate | C21H26O8

Methyl 5-{[(methoxycarbonyl)oxy]carbonyl}-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.01,10.02,7]pentadec-8-ene-12-carboxylate

  • Molecular FormulaC21H26O8
  • Average mass406.426 Da
  • Monoisotopic mass406.162781 Da
  • ChemSpider ID28553900

More details:






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

3,10b-Methano-10bH-naphtho[1,2-b]pyran-3(2H)-carboxylic acid, 4,4a,6a,7,8,9,10,10a-octahydro-8-[[(methoxycarbonyl)oxy]carbonyl]-4a,9-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
5-{[(Méthoxycarbonyl)oxy]carbonyl}-4,10-diméthyl-13-oxo-14-oxatétracyclo[10.2.1.01,10.02,7]pentadéc-8-ène-12-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(methoxycarbonyl)oxy]carbonyl}-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.01,10.02,7]pentadec-8-ene-12-carboxylate [ACD/IUPAC Name]
Methyl-5-{[(methoxycarbonyl)oxy]carbonyl}-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.01,10.02,7]pentadec-8-en-12-carboxylat [German] [ACD/IUPAC Name]
METHYL(3R,4AS,6AS,10AR)-8-{[(METHOXYCARBONYL)OXY]CARBONYL}-4A,9-DIMETHYL-2-OXO-4,4A,6A,7,8,9,10,10A-OCTAHYDRO-3,10B-METHANOBENZO[H]CHROMENE-3(2H)-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 523.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 227.5±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.89
ACD/KOC (pH 5.5): 367.23
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.89
ACD/KOC (pH 7.4): 367.23
Polar Surface Area: 105 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

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