ChemSpider 2D Image | (9S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol | C21H32O2

(9S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID23138692

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(9S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(9S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(9S)-6,6,9-Triméthyl-3-pentyl-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-6,6,9-trimethyl-3-pentyl-, (9S)- [ACD/Index Name]
(13S)-9,9,13-trimethyl-5-pentyl-8-oxatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-3-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL295056/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 390.2±31.0 °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: 147.8±19.1 °C
Index of Refraction: 1.514
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 297713.00
ACD/KOC (pH 5.5): 288213.25
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 296861.06
ACD/KOC (pH 7.4): 287388.50
Polar Surface Area: 29 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

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