ChemSpider 2D Image | 1-(1-Piperidinyl)ethyl 3-acetoxy-11-oxoolean-12-en-29-oate | C39H61NO5

1-(1-Piperidinyl)ethyl 3-acetoxy-11-oxoolean-12-en-29-oate

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID3466792

More details:






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

1-(1-Piperidinyl)ethyl 3-acetoxy-11-oxoolean-12-en-29-oate [ACD/IUPAC Name]
1-(1-Piperidinyl)ethyl-3-acetoxy-11-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]
3-Acétoxy-11-oxooléan-12-én-29-oate de 1-(1-pipéridinyl)éthyle [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, 1-(1-piperidinyl)ethyl ester [ACD/Index Name]
1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(piperidylethyl)oxycarbonyl]pentacyclo [12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate
1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(piperidylethyl)oxycarbonyl]pentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate
1-PIPERIDIN-1-YLETHYL 10-ACETYLOXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,6A,7,8,8A,10,11,12,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 177.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 287232.34
ACD/KOC (pH 5.5): 133029.55
ACD/LogD (pH 7.4): 8.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1586022.25
Polar Surface Area: 73 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 558.5±5.0 cm3

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