ChemSpider 2D Image | MOLLICELLIN I | C21H22O6

MOLLICELLIN I

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID32699110

More details:

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

1016605-29-0 [RN]
11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
3,7-Dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-on [German] [ACD/IUPAC Name]
3,7-Dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one [ACD/IUPAC Name]
3,7-Dihydroxy-4-(hydroxyméthyl)-1,9-diméthyl-8-(3-méthyl-2-butén-1-yl)-11H-dibenzo[b,e][1,4]dioxépin-11-one [French] [ACD/IUPAC Name]
MOLLICELLIN I
1016605-31-4 [RN]
2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)-6-benzo[b][1,4]benzodioxepinone
2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
2,9-dihydroxy-4,7-dimethyl-3-(3-methylbut-2-enyl)-10-methylol-benzo[b][1,4]benzodioxepin-6-one
More...

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

ALX4O68IJZ [DBID]
UNII:ALX4O68IJZ [DBID]
UNII-ALX4O68IJZ [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 219.1±25.0 °C
Index of Refraction: 1.632
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 803.41
ACD/KOC (pH 5.5): 4173.80
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 632.61
ACD/KOC (pH 7.4): 3286.47
Polar Surface Area: 96 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement