ChemSpider 2D Image | (6aR,11aR)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-8-methyl-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | C31H38O4

(6aR,11aR)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-8-methyl-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID26636705

  • 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

(6aR,11aR)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-8-methyl-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3,9-diol [German] [ACD/IUPAC Name]
(6aR,11aR)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-8-methyl-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol [ACD/IUPAC Name]
(6aR,11aR)-2-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-8-méthyl-10-(3-méthyl-2-butén-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromène-3,9-diol [French] [ACD/IUPAC Name]
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6a,11a-dihydro-8-methyl-10-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 8.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 907495.06
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 901854.13
Polar Surface Area: 59 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 423.0±3.0 cm3

Click to predict properties on the Chemicalize site


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