ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,16xi,17xi)-Solanid-4-en-3-one | C27H41NO

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-Solanid-4-en-3-one

  • Molecular FormulaC27H41NO
  • Average mass395.621 Da
  • Monoisotopic mass395.318817 Da
  • ChemSpider ID21499967

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-Solanid-4-en-3-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-Solanid-4-en-3-one [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-Solanid-4-én-3-one [French] [ACD/IUPAC Name]
Solanid-4-en-3-one, (8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)- [ACD/Index Name]
(16S,17R,20S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-5-en-7-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 178.1±19.5 °C
Index of Refraction: 1.571
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 21.29
ACD/KOC (pH 5.5): 40.87
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 22.84
ACD/KOC (pH 7.4): 43.85
Polar Surface Area: 20 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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