ChemSpider 2D Image | 1-(Chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol | C22H26ClNO2

1-(Chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol

  • Molecular FormulaC22H26ClNO2
  • Average mass371.900 Da
  • Monoisotopic mass371.165222 Da
  • ChemSpider ID21216858

More details:

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

1-(Chlorethinyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol [German] [ACD/IUPAC Name]
1-(Chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol [ACD/IUPAC Name]
1-(Chloroéthynyl)-10a,12a-diméthyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodécahydro-1H-cyclopenta[7,8]phénanthro[3,2-d][1,2]oxazol-1-ol [French] [ACD/IUPAC Name]
1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol, 1-(2-chloroethynyl)-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7176.64
ACD/KOC (pH 5.5): 20029.01
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7176.49
ACD/KOC (pH 7.4): 20028.60
Polar Surface Area: 46 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 288.4±5.0 cm3

Click to predict properties on the Chemicalize site


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