ChemSpider 2D Image | trigohetone, (rel)- | C20H30O4

trigohetone, (rel)-

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID35518229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6S)-6-[(2S,5E)-2,7-Dihydroxy-6,10-dimethyl-8-oxo-5,9-undecadien-2-yl]-3-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(6S)-6-[(2S,5E)-2,7-Dihydroxy-6,10-dimethyl-8-oxo-5,9-undecadien-2-yl]-3-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(6S)-6-[(2S,5E)-2,7-Dihydroxy-6,10-diméthyl-8-oxo-5,9-undécadién-2-yl]-3-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 6-[(1S,4E)-1,6-dihydroxy-1,5,9-trimethyl-7-oxo-4,8-decadien-1-yl]-3-methyl-, (6S)- [ACD/Index Name]
trigohetone, (rel)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 288.5±26.6 °C
Index of Refraction: 1.527
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.56
ACD/KOC (pH 5.5): 1029.76
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.56
ACD/KOC (pH 7.4): 1029.75
Polar Surface Area: 75 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

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