ChemSpider 2D Image | (6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol | C19H37NO

(6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol

  • Molecular FormulaC19H37NO
  • Average mass295.503 Da
  • Monoisotopic mass295.287506 Da
  • ChemSpider ID24685373

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol [ACD/IUPAC Name]
(6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol [German] [ACD/IUPAC Name]
(6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undécan-8-ol [French] [ACD/IUPAC Name]
1-Azaspiro[5.5]undecan-8-ol, 7-butyl-2-pentyl-, (6R,7S,8S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL434297/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 412.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 52.2±11.9 °C
Index of Refraction: 1.497
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 15.03
ACD/KOC (pH 5.5): 31.85
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 16.17
ACD/KOC (pH 7.4): 34.26
Polar Surface Area: 32 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement