ChemSpider 2D Image | [(1R,11S,12Z,17S)-12-Ethylidene-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2,4,6,9-tetraen-10-yl]acetaldehyde | C20H22N2O

[(1R,11S,12Z,17S)-12-Ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraen-10-yl]acetaldehyde

  • Molecular FormulaC20H22N2O
  • Average mass306.401 Da
  • Monoisotopic mass306.173218 Da
  • ChemSpider ID28639914

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R,11S,12Z,17S)-12-Ethyliden-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraen-10-yl]acetaldehyd [German] [ACD/IUPAC Name]
[(1R,11S,12Z,17S)-12-Ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraen-10-yl]acetaldehyde [ACD/IUPAC Name]
[(1R,11S,12Z,17S)-12-Éthylidène-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadéca-2,4,6,9-tétraén-10-yl]acétaldéhyde [French] [ACD/IUPAC Name]
(19E)-2,16-Didehydrocur-19-en-17-al [ACD/IUPAC Name]
6880-54-2 [RN]
MFCD00274483

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.9±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 8.08
ACD/KOC (pH 7.4): 73.25
Polar Surface Area: 32 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 242.7±5.0 cm3

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