ChemSpider 2D Image | 1-{1-[2,2-Dimethyl-5-(2-methyl-3-pentanyl)-1,3-dioxolan-4-yl]ethyl}-8,8,10a,12a-tetramethylhexadecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one | C35H58O5

1-{1-[2,2-Dimethyl-5-(2-methyl-3-pentanyl)-1,3-dioxolan-4-yl]ethyl}-8,8,10a,12a-tetramethylhexadecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID4423395

More details:

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

1-{1-[2,2-Dimethyl-5-(2-methyl-3-pentanyl)-1,3-dioxolan-4-yl]ethyl}-8,8,10a,12a-tetramethylhexadecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-on [German] [ACD/IUPAC Name]
1-{1-[2,2-Dimethyl-5-(2-methyl-3-pentanyl)-1,3-dioxolan-4-yl]ethyl}-8,8,10a,12a-tetramethylhexadecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one [ACD/IUPAC Name]
1-{1-[2,2-Diméthyl-5-(2-méthyl-3-pentanyl)-1,3-dioxolan-4-yl]éthyl}-8,8,10a,12a-tétraméthylhexadécahydro-5H-cyclopenta[7,8]phénanthro[2,3-d][1,3]dioxol-5-one [French] [ACD/IUPAC Name]
5H-Cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one, 1-[1-[5-(1-ethyl-2-methylpropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hexadecahydro-8,8,10a,12a-tetramethyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 595.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 243.6±30.2 °C
Index of Refraction: 1.493
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 284509.50
ACD/KOC (pH 5.5): 279008.03
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 284509.50
ACD/KOC (pH 7.4): 279008.03
Polar Surface Area: 54 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 544.8±3.0 cm3

Click to predict properties on the Chemicalize site


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