ChemSpider 2D Image | (6aR,10aR)-3-[(3R,5S)-Adamantan-1-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C26H34O2

(6aR,10aR)-3-[(3R,5S)-Adamantan-1-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC26H34O2
  • Average mass378.547 Da
  • Monoisotopic mass378.255890 Da
  • ChemSpider ID57642667

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6aR,10aR)-3-[(3R,5S)-Adamantan-1-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-3-[(3R,5S)-Adamantan-1-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-3-[(3R,5S)-Adamantan-1-yl]-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-[(3R,5S)-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: 1.1±0.1 g/cm3
Boiling Point: 466.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 191.1±23.0 °C
Index of Refraction: 1.583
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 462234.78
ACD/KOC (pH 5.5): 394887.78
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 460174.84
ACD/KOC (pH 7.4): 393127.94
Polar Surface Area: 29 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

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