ChemSpider 2D Image | (2S)-1-(2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-4,6-dihydroxyphenyl)-2-methyl-1-butanone | C21H30O4

(2S)-1-(2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-4,6-dihydroxyphenyl)-2-methyl-1-butanone

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID28289771

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S)-1-(2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-4,6-dihydroxyphenyl)-2-methyl-1-butanon [German] [ACD/IUPAC Name]
(2S)-1-(2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-4,6-dihydroxyphenyl)-2-methyl-1-butanone [ACD/IUPAC Name]
(2S)-1-(2-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]oxy}-4,6-dihydroxyphényl)-2-méthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[2-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-4,6-dihydroxyphenyl]-2-methyl-, (2S)- [ACD/Index Name]
olympicin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 167.2±22.2 °C
Index of Refraction: 1.536
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21400.85
ACD/KOC (pH 5.5): 43434.23
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 6457.75
ACD/KOC (pH 7.4): 13106.38
Polar Surface Area: 67 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

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