ChemSpider 2D Image | 3-{(2E,6E)-3,7-Dimethyl-9-[(2S,3S)-3-methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranyl]-2,6-nonadien-1-yl}-1H-indole | C28H39NO

3-{(2E,6E)-3,7-Dimethyl-9-[(2S,3S)-3-methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranyl]-2,6-nonadien-1-yl}-1H-indole

  • Molecular FormulaC28H39NO
  • Average mass405.615 Da
  • Monoisotopic mass405.303162 Da
  • ChemSpider ID30790766

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole, 3-[(2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(4-methyl-3-penten-1-yl)oxiranyl]-2,6-nonadien-1-yl]- [ACD/Index Name]
3-{(2E,6E)-3,7-Dimethyl-9-[(2S,3S)-3-methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranyl]-2,6-nonadien-1-yl}-1H-indol [German] [ACD/IUPAC Name]
3-{(2E,6E)-3,7-Dimethyl-9-[(2S,3S)-3-methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranyl]-2,6-nonadien-1-yl}-1H-indole [ACD/IUPAC Name]
3-{(2E,6E)-3,7-Diméthyl-9-[(2S,3S)-3-méthyl-3-(4-méthyl-3-pentén-1-yl)-2-oxiranyl]-2,6-nonadién-1-yl}-1H-indole [French] [ACD/IUPAC Name]
10,11-epoxy-3-geranylgeranylindole

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

Density: 1.0±0.1 g/cm3
Boiling Point: 551.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 193.4±17.0 °C
Index of Refraction: 1.558
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 979945.38
ACD/KOC (pH 5.5): 676193.50
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 979945.38
ACD/KOC (pH 7.4): 676193.50
Polar Surface Area: 28 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

Click to predict properties on the Chemicalize site


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