ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[2-(4-propylphenyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C28H36O2

(6aR,10aR)-6,6,9-Trimethyl-3-[2-(4-propylphenyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC28H36O2
  • Average mass404.584 Da
  • Monoisotopic mass404.271515 Da
  • ChemSpider ID23330129

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-[2-(4-propylphenyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[2-(4-propylphenyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[2-(4-propylphényl)-2-propanyl]-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-[1-methyl-1-(4-propylphenyl)ethyl]-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-6,6,9-trimethyl-3-[2-(4-propylphenyl)propan-2-yl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
3-[1-(4-Propyl-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL471122
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL471122/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 476.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 187.1±23.0 °C
Index of Refraction: 1.551
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1123886.88
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1118406.63
Polar Surface Area: 29 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 390.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement