ChemSpider 2D Image | (3S,9E)-3-Methyl-1-oxa-4-azacyclododec-9-ene-5,12-dione | C11H17NO3

(3S,9E)-3-Methyl-1-oxa-4-azacyclododec-9-ene-5,12-dione

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID30660570

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,9E)-3-Methyl-1-oxa-4-azacyclododec-9-en-5,12-dion [German] [ACD/IUPAC Name]
(3S,9E)-3-Methyl-1-oxa-4-azacyclododec-9-ene-5,12-dione [ACD/IUPAC Name]
(3S,9E)-3-Méthyl-1-oxa-4-azacyclododéc-9-ène-5,12-dione [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclododec-9-ene-5,12-dione, 3-methyl-, (3S,9E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 452.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.452
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.03
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 80.03
Polar Surface Area: 55 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 206.2±3.0 cm3

Click to predict properties on the Chemicalize site


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