ChemSpider 2D Image | 5-Hydroxy-3,11,11,14-tetramethyl-15-oxo-7-[(propionyloxy)methyl]tetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-diene-4,6-diyl dipropanoate | C29H40O8

5-Hydroxy-3,11,11,14-tetramethyl-15-oxo-7-[(propionyloxy)methyl]tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-diene-4,6-diyl dipropanoate

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID162817

More details:

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

1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-5,6-bis(1-oxopropoxy)-4-[(1-oxopropoxy)methyl]- [ACD/Index Name]
5-Hydroxy-3,11,11,14-tetramethyl-15-oxo-7-[(propionyloxy)methyl]tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4,6-diyl-dipropanoat [German] [ACD/IUPAC Name]
5-Hydroxy-3,11,11,14-tetramethyl-15-oxo-7-[(propionyloxy)methyl]tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-diene-4,6-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de 5-hydroxy-3,11,11,14-tétraméthyl-15-oxo-7-[(propionyloxy)méthyl]tétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-diène-4,6-diyle [French] [ACD/IUPAC Name]
81943-57-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 190.7±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6694.60
ACD/KOC (pH 5.5): 19056.56
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6692.21
ACD/KOC (pH 7.4): 19049.76
Polar Surface Area: 116 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

Click to predict properties on the Chemicalize site


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