ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[2-methyl(4,4,5,5,5-~2~H_5_)-2-pentanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene | C22H27D5O

(6aR,10aR)-6,6,9-Trimethyl-3-[2-methyl(4,4,5,5,5-2H5)-2-pentanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene

  • Molecular FormulaC22H27D5O
  • Average mass317.520 Da
  • Monoisotopic mass317.276703 Da
  • ChemSpider ID58783615

  • 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-methyl(4,4,5,5,5-2H5)-2-pentanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[2-methyl(4,4,5,5,5-2H5)-2-pentanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[2-méthyl(4,4,5,5,5-2H5)-2-pentanyl]-6a,7,10,10a-tétrahydro-6H-benzo[c]chromène [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran, 3-(1,1-dimethylbutyl-3,3,4,4,4-d5)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 382.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 182.8±23.6 °C
Index of Refraction: 1.507
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 448684.25
ACD/KOC (pH 5.5): 386573.09
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 448684.25
ACD/KOC (pH 7.4): 386573.09
Polar Surface Area: 9 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 328.7±3.0 cm3

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