ChemSpider 2D Image | (6Z,8S,8aS)-6-[(2R,4E)-6-Hydroxy-2,5-dimethyl-4-octen-1-ylidene]-8-methyloctahydro-8-indolizinol | C19H33NO2

(6Z,8S,8aS)-6-[(2R,4E)-6-Hydroxy-2,5-dimethyl-4-octen-1-ylidene]-8-methyloctahydro-8-indolizinol

  • Molecular FormulaC19H33NO2
  • Average mass307.471 Da
  • Monoisotopic mass307.251129 Da
  • ChemSpider ID23218744

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6Z,8S,8aS)-6-[(2R,4E)-6-Hydroxy-2,5-dimethyl-4-octen-1-yliden]-8-methyloctahydro-8-indolizinol [German] [ACD/IUPAC Name]
(6Z,8S,8aS)-6-[(2R,4E)-6-Hydroxy-2,5-dimethyl-4-octen-1-ylidene]-8-methyloctahydro-8-indolizinol [ACD/IUPAC Name]
(6Z,8S,8aS)-6-[(2R,4E)-6-Hydroxy-2,5-diméthyl-4-octén-1-ylidène]-8-méthyloctahydro-8-indolizinol [French] [ACD/IUPAC Name]
(6Z,8S,8aS)-6-[(2R,4E)-6-hydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizin-8-ol
8-Indolizinol, octahydro-6-[(2R,4E)-6-hydroxy-2,5-dimethyl-4-octen-1-ylidene]-8-methyl-, (6Z,8S,8aS)- [ACD/Index Name]
(6Z,8S,8aS)-6-[(2R,4E)-6-hydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyl-octahydroindolizin-8-ol
6-(6-Hydroxy-2,5-dimethyl-oct-4-enylidene)-8-methyl-octahydro-indolizin-8-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341670/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 436.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 196.7±27.4 °C
Index of Refraction: 1.541
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 14.95
ACD/KOC (pH 7.4): 107.75
Polar Surface Area: 44 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


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