ChemSpider 2D Image | (2R)-1-[(2E)-2-Decenoyl]-5-hydroxy-4-(1-hydroxyethyl)-2-isobutyl-3-pyrrolidinone | C20H35NO4

(2R)-1-[(2E)-2-Decenoyl]-5-hydroxy-4-(1-hydroxyethyl)-2-isobutyl-3-pyrrolidinone

  • Molecular FormulaC20H35NO4
  • Average mass353.496 Da
  • Monoisotopic mass353.256622 Da
  • ChemSpider ID24708801

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(2R)-1-[(2E)-2-Decenoyl]-5-hydroxy-4-(1-hydroxyethyl)-2-isobutyl-3-pyrrolidinon [German] [ACD/IUPAC Name]
(2R)-1-[(2E)-2-Decenoyl]-5-hydroxy-4-(1-hydroxyethyl)-2-isobutyl-3-pyrrolidinone [ACD/IUPAC Name]
(2R)-1-[(2E)-2-Decenoyl]-5-hydroxy-4-(1-hydroxyéthyl)-2-isobutyl-3-pyrrolidinone [French] [ACD/IUPAC Name]
3-Pyrrolidinone, 5-hydroxy-4-(1-hydroxyethyl)-2-(2-methylpropyl)-1-[(2E)-1-oxo-2-decen-1-yl]-, (2R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498160/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.2±30.1 °C
Index of Refraction: 1.506
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.04
ACD/KOC (pH 5.5): 980.49
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.04
ACD/KOC (pH 7.4): 980.48
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

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