ChemSpider 2D Image | 3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6H-benzo[c]chromen-1-ol | C26H30O3

3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC26H30O3
  • Average mass390.515 Da
  • Monoisotopic mass390.219482 Da
  • ChemSpider ID29404579

More details:






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

3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
3-(Adamantan-1-yl)-9-(hydroxyméthyl)-6,6-diméthyl-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-9-methanol, 1-hydroxy-6,6-dimethyl-3-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
10.1021/jm4000775

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30112.31
ACD/KOC (pH 5.5): 55900.97
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29186.94
ACD/KOC (pH 7.4): 54183.10
Polar Surface Area: 50 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 316.7±3.0 cm3

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