ChemSpider 2D Image | 1-(2-Chloro-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethanone | C24H30ClFO5

1-(2-Chloro-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethanone

  • Molecular FormulaC24H30ClFO5
  • Average mass452.943 Da
  • Monoisotopic mass452.176575 Da
  • ChemSpider ID26503015

More details:

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

1-(2-Chlor-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethanon [German] [ACD/IUPAC Name]
1-(2-Chloro-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethanone [ACD/IUPAC Name]
1-(2-Chloro-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-4a,4b,5,6,6a,9a,10,10a,10b,11-décahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(2-chloro-4b-fluoro-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-5-hydroxy-4a,6a,8,8-tetramethyl-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxy- [ACD/Index 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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.50
ACD/KOC (pH 5.5): 2125.29
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 312.50
ACD/KOC (pH 7.4): 2125.27
Polar Surface Area: 76 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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