ChemSpider 2D Image | (6aS,11aR)-10-(3-Methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromen-9-ol | C22H20O4

(6aS,11aR)-10-(3-Methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromen-9-ol

  • Molecular FormulaC22H20O4
  • Average mass348.392 Da
  • Monoisotopic mass348.136169 Da
  • ChemSpider ID68905941

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,11aR)-10-(3-Methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromen-9-ol [German] [ACD/IUPAC Name]
(6aS,11aR)-10-(3-Methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromen-9-ol [ACD/IUPAC Name]
(6aS,11aR)-10-(3-Méthyl-2-butén-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromén-9-ol [French] [ACD/IUPAC Name]
6H-Benzofuro[3,2-c]furo[3,2-g][1]benzopyran-9-ol, 6a,11a-dihydro-10-(3-methyl-2-buten-1-yl)-, (6aS,11aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 248.4±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5193.84
ACD/KOC (pH 5.5): 15890.46
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5184.88
ACD/KOC (pH 7.4): 15863.04
Polar Surface Area: 52 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

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