ChemSpider 2D Image | Ethyl (1S,11S,15R)-15-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-oxotetracyclo[9.3.1.0~2,10~.0~3,8~]pentadeca-2(10),3,5,7-tetraene-11-carboxylate | C23H26O5

Ethyl (1S,11S,15R)-15-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-oxotetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-11-carboxylate

  • Molecular FormulaC23H26O5
  • Average mass382.449 Da
  • Monoisotopic mass382.178009 Da
  • ChemSpider ID30653805

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,11S,15R)-15-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]-12-oxotétracyclo[9.3.1.02,10.03,8]pentadéca-2(10),3,5,7-tétraène-11-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5,9-Methanobenz[a]azulene-9(6H)-carboxylic acid, 11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,7,8,10-tetrahydro-8-oxo-, ethyl ester, (5S,9S,11R)- [ACD/Index Name]
Ethyl (1S,11S,15R)-15-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-oxotetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-11-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,11S,15R)-15-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-oxotetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-11-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 264.6±18.1 °C
Index of Refraction: 1.596
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.07
ACD/KOC (pH 5.5): 2979.84
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 501.07
ACD/KOC (pH 7.4): 2979.84
Polar Surface Area: 62 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

Click to predict properties on the Chemicalize site


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