ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,3-~2~H_5_)propyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C19H21D5O2

(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,3-2H5)propyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC19H21D5O2
  • Average mass291.439 Da
  • Monoisotopic mass291.224670 Da
  • ChemSpider ID9154387

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,3-2H5)propyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,3-2H5)propyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[(2,2,3,3,3-2H5)propyl]-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-(propyl-2,2,3,3,3-d5)-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-6,6,9-trimethyl-3-(2,2,3,3,3-pentadeuteriopropyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
498542-85-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 360.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 137.6±22.1 °C
Index of Refraction: 1.536
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18786.51
ACD/KOC (pH 5.5): 39884.04
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18710.88
ACD/KOC (pH 7.4): 39723.47
Polar Surface Area: 29 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 276.7±3.0 cm3

Click to predict properties on the Chemicalize site


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