ChemSpider 2D Image | Butyl (2S)-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]propanoate | C23H32O4

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

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID31125843

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-[(6aR,10aR)-1-Hydroxy-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-3-yl]propanoate de butyle [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-3-acetic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-α,6,6,9-tetramethyl-, butyl ester, (αS,6aR,10aR)- [ACD/Index Name]
Butyl (2S)-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]propanoate [ACD/IUPAC Name]
Butyl-(2S)-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]propanoat [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: 434.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 138.0±22.2 °C
Index of Refraction: 1.526
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36996.57
ACD/KOC (pH 5.5): 64782.92
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36696.47
ACD/KOC (pH 7.4): 64257.43
Polar Surface Area: 56 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 347.0±3.0 cm3

Click to predict properties on the Chemicalize site


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