ChemSpider 2D Image | (3R,5E)-4,4-Dimethyl-7-oxo-1-phenyl-8-propyl-5-undecen-3-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate | C35H53NO5

(3R,5E)-4,4-Dimethyl-7-oxo-1-phenyl-8-propyl-5-undecen-3-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate

  • Molecular FormulaC35H53NO5
  • Average mass567.799 Da
  • Monoisotopic mass567.392395 Da
  • ChemSpider ID23196169

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-(3,3-Diméthyl-2-oxopentanoyl)-2-pipéridinecarboxylate de (3R,5E)-4,4-diméthyl-7-oxo-1-phényl-8-propyl-5-undécén-3-yle [French] [ACD/IUPAC Name]
(3R,5E)-4,4-Dimethyl-7-oxo-1-phenyl-8-propyl-5-undecen-3-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
(3R,5E)-4,4-Dimethyl-7-oxo-1-phenyl-8-propyl-5-undecen-3-yl-(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(3R,5E)-4,4-dimethyl-7-oxo-1-phenyl-8-propylundec-5-en-3-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R,3E)-2,2-dimethyl-5-oxo-1-(2-phenylethyl)-6-propyl-3-nonen-1-yl ester, (2S)- [ACD/Index Name]
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (E)-(R)-2,2-dimethyl-5-oxo-1-phenethyl-6-propyl-non-3-enyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 661.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.512
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 198444.64
ACD/KOC (pH 5.5): 215588.59
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 198444.64
ACD/KOC (pH 7.4): 215588.59
Polar Surface Area: 81 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 545.9±3.0 cm3

Click to predict properties on the Chemicalize site


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