ChemSpider 2D Image | (6aR,10aR)-3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C26H34O3

(6aR,10aR)-3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC26H34O3
  • Average mass394.546 Da
  • Monoisotopic mass394.250793 Da
  • ChemSpider ID29406811

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(6aR,10aR)-3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-3-(Adamantan-1-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-3-(Adamantan-1-yl)-9-(hydroxyméthyl)-6,6-diméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-tricyclo[3.3.1.13,7]dec-1-yl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75628.16
ACD/KOC (pH 5.5): 108077.26
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75269.63
ACD/KOC (pH 7.4): 107564.90
Polar Surface Area: 50 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 334.9±3.0 cm3

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