ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[(5-~3~H_1_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C21H29TO2

(6aR,10aR)-6,6,9-Trimethyl-3-[(5-3H1)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H29TO2
  • Average mass316.470 Da
  • Monoisotopic mass316.232819 Da
  • ChemSpider ID9776893
  • 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-[(5-3H1)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[(5-3H1)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[(5-3H1)pentyl]-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-(pentyl-5-t)-, (6aR,10aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 390.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 149.3±22.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 191538.52
ACD/KOC (pH 5.5): 210188.50
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 190809.75
ACD/KOC (pH 7.4): 209388.77
Polar Surface Area: 29 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





Feedback Form