ChemSpider 2D Image | Methyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.1~15,19~]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17-carboxylate | C30H42O12

Methyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17-carboxylate

  • Molecular FormulaC30H42O12
  • Average mass594.647 Da
  • Monoisotopic mass594.267639 Da
  • ChemSpider ID8992592

More details:

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

2,5,8,11,14,20,23,26,29,32-Décaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaène-17-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15,17,19(38),33,35-hexaene-17-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17-carboxylate [ACD/IUPAC Name]
Methyl-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-carboxylat [German] [ACD/IUPAC Name]
192378-97-5 [RN]
methyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.11?,1?]octatriaconta-1(37),15,17,19(38),33,35-hexaene-17-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.470
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.00
ACD/KOC (pH 5.5): 180.91
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 180.91
Polar Surface Area: 119 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 540.1±3.0 cm3

Click to predict properties on the Chemicalize site


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