ChemSpider 2D Image | 8'-Acetoxy-2,2,2',9',13'-pentamethyl-6'-methylene-6,11',15',16'-tetraoxodihydro-4H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecan]-3'-yl (2E)-2-methyl-2-butenoate | C31H36O12

8'-Acetoxy-2,2,2',9',13'-pentamethyl-6'-methylene-6,11',15',16'-tetraoxodihydro-4H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecan]-3'-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC31H36O12
  • Average mass600.610 Da
  • Monoisotopic mass600.220703 Da
  • ChemSpider ID29814518

  • Double-bond stereo - Double-bond stereo

More details:

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

8'-Acetoxy-2,2,2',9',13'-pentamethyl-6'-methylene-6,11',15',16'-tetraoxodihydro-4H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecan]-3'-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 321.8±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 695.37
ACD/KOC (pH 5.5): 3767.55
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 695.37
ACD/KOC (pH 7.4): 3767.55
Polar Surface Area: 158 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 432.1±5.0 cm3

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