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Search term: ACPYOBRCKMOLFK-GVDBMIGSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanone | C17H31NO

7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanone

  • Molecular FormulaC17H31NO
  • Average mass265.434 Da
  • Monoisotopic mass265.240570 Da
  • ChemSpider ID23122123

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Heptanone, 7-[(3R,5S,7aR)-hexahydro-5-propyl-1H-pyrrolizin-3-yl]- [ACD/Index Name]
7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanon [German] [ACD/IUPAC Name]
7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanone [ACD/IUPAC Name]
7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanone [French] [ACD/IUPAC Name]
7-[(3R,5S,7aR)-5-propylhexahydro-1H-pyrrolizin-3-yl]heptan-2-one
7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-one
CHEMBL291009
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL291009/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 357.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 115.2±9.8 °C
Index of Refraction: 1.495
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.79
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.43
Polar Surface Area: 20 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 36.0±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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