ChemSpider 2D Image | (8E)-1-[(2R)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-methyl-8-decene-1,3-dione | C16H27NO3

(8E)-1-[(2R)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-methyl-8-decene-1,3-dione

  • Molecular FormulaC16H27NO3
  • Average mass281.391 Da
  • Monoisotopic mass281.199097 Da
  • ChemSpider ID28282520

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8E)-1-[(2R)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-methyl-8-decen-1,3-dion [German] [ACD/IUPAC Name]
(8E)-1-[(2R)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-methyl-8-decene-1,3-dione [ACD/IUPAC Name]
(8E)-1-[(2R)-2-(Hydroxyméthyl)-1-pyrrolidinyl]-2-méthyl-8-décène-1,3-dione [French] [ACD/IUPAC Name]
8-Decene-1,3-dione, 1-[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-, (8E)- [ACD/Index Name]
(8E)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
scalusamide A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 468.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 237.2±24.6 °C
Index of Refraction: 1.500
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.00
ACD/KOC (pH 5.5): 286.38
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.00
ACD/KOC (pH 7.4): 286.37
Polar Surface Area: 58 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

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