ChemSpider 2D Image | (5's,7's)-5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-one | C17H28N2O

(5's,7's)-5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decan]-6'-one

  • Molecular FormulaC17H28N2O
  • Average mass276.417 Da
  • Monoisotopic mass276.220154 Da
  • ChemSpider ID23718192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5's,7's)-5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decan]-6'-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'-[1,3]diazatricyclo[3.3.1.13,7]decan]-6'-one, 5'-methyl-7'-propyl- [ACD/Index Name]
633286-26-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 395.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 160.4±18.9 °C
Index of Refraction: 1.572
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 66.35
ACD/KOC (pH 5.5): 417.31
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.06
ACD/KOC (pH 7.4): 2428.13
Polar Surface Area: 24 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 244.7±5.0 cm3

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