ChemSpider 2D Image | (6aR,9R,10aR)-3-(Adamantan-1-yl)-9-(iodomethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol | C26H35IO2

(6aR,9R,10aR)-3-(Adamantan-1-yl)-9-(iodomethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC26H35IO2
  • Average mass506.459 Da
  • Monoisotopic mass506.168152 Da
  • ChemSpider ID29405756

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(6aR,9R,10aR)-3-(Adamantan-1-yl)-9-(iodmethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,9R,10aR)-3-(Adamantan-1-yl)-9-(iodomethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,9R,10aR)-3-(Adamantan-1-yl)-9-(iodométhyl)-6,6-diméthyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-9-(iodomethyl)-6,6-dimethyl-3-tricyclo[3.3.1.13,7]dec-1-yl-, (6aR,9R,10aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 780113.06
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 777027.13
Polar Surface Area: 29 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 365.0±3.0 cm3

Click to predict properties on the Chemicalize site


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