ChemSpider 2D Image | S-Propyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanethioate | C23H32O3S

S-Propyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanethioate

  • Molecular FormulaC23H32O3S
  • Average mass388.563 Da
  • Monoisotopic mass388.207214 Da
  • ChemSpider ID76784306

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(6aR,10aR)-1-Hydroxy-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-3-yl]-2-méthylpropanethioate de S-propyle [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-3-ethanethioic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-α,α,6,6,9-pentamethyl-, S-propyl ester, (6aR,10aR)- [ACD/Index Name]
S-Propyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanethioate [ACD/IUPAC Name]
S-Propyl-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanthioat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 232.5±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76253.51
ACD/KOC (pH 5.5): 108713.74
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75415.73
ACD/KOC (pH 7.4): 107519.32
Polar Surface Area: 72 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

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