ChemSpider 2D Image | 2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3,3-dimethylbutanoate | C30H40F2O7

2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3,3-dimethylbutanoate

  • Molecular FormulaC30H40F2O7
  • Average mass550.631 Da
  • Monoisotopic mass550.274231 Da
  • ChemSpider ID28567138

More details:

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

2-(4b,12-Difluor-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl-3,3-dimethylbutanoat [German] [ACD/IUPAC Name]
2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3,3-dimethylbutanoate [ACD/IUPAC Name]
3,3-Diméthylbutanoate de 2-(4b,12-difluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3,3-dimethyl-, 2-(4b,12-difluoro-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl est er [ACD/Index Name]
2-[(4AS,5S,6AS,6BS,9AS,10AS,10BS,12S)-4B,12-DIFLUORO-5-HYDROXY-4A,6A,8,8-TETRAMETHYL-2-OXO-2,4A,4B,5,6,6A,9A,10,10A,10B,11,12-DODECAHYDRO-6BH-NAPHTHO[2',1':4,5]INDENO[1,2-D][1,3]DIOXOL-6B-YL]-2-OXOETHYL 3,3-DIMETHYLBUTANOATE
5098-16-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1148.58
ACD/KOC (pH 5.5): 5395.89
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1148.58
ACD/KOC (pH 7.4): 5395.87
Polar Surface Area: 99 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

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