ChemSpider 2D Image | (-)-abscisic aldehyde | C15H20O3

(-)-abscisic aldehyde

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID21865645

  • 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

(-)-abscisic aldehyde
(2Z,4E)-5-[(1R)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienal [German] [ACD/IUPAC Name]
(2Z,4E)-5-[(1R)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienal [ACD/IUPAC Name]
(2Z,4E)-5-[(1R)-1-Hydroxy-2,6,6-triméthyl-4-oxo-2-cyclohexén-1-yl]-3-méthyl-2,4-pentadiénal [French] [ACD/IUPAC Name]
2,4-Pentadienal, 5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- [ACD/Index Name]
(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal
2506039 [Beilstein]

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

CHEBI:49187 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 408.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 214.8±25.2 °C
Index of Refraction: 1.562
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 175.80
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 175.80
Polar Surface Area: 54 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

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