ChemSpider 2D Image | (4aS,6E)-5-(Cyclohexylamino)-6-[3-(cyclohexylethynyl)benzylidene]-1,4a-dimethyldecahydro-2-naphthalenol | C33H47NO

(4aS,6E)-5-(Cyclohexylamino)-6-[3-(cyclohexylethynyl)benzylidene]-1,4a-dimethyldecahydro-2-naphthalenol

  • Molecular FormulaC33H47NO
  • Average mass473.732 Da
  • Monoisotopic mass473.365753 Da
  • ChemSpider ID24840109

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(4aS,6E)-5-(Cyclohexylamino)-6-[3-(cyclohexylethinyl)benzyliden]-1,4a-dimethyldecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(4aS,6E)-5-(Cyclohexylamino)-6-[3-(cyclohexyléthynyl)benzylidène]-1,4a-diméthyldécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(4aS,6E)-5-(Cyclohexylamino)-6-[3-(cyclohexylethynyl)benzylidene]-1,4a-dimethyldecahydro-2-naphthalenol [ACD/IUPAC Name]
2-Naphthalenol, 5-(cyclohexylamino)-6-[[3-(2-cyclohexylethynyl)phenyl]methylene]decahydro-1,4a-dimethyl-, (4aS,6E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 27.8±22.2 °C
Index of Refraction: 1.581
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 549.76
ACD/KOC (pH 5.5): 424.23
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 2467.65
ACD/KOC (pH 7.4): 1904.18
Polar Surface Area: 32 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 439.2±5.0 cm3

Click to predict properties on the Chemicalize site


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