ChemSpider 2D Image | Butyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoate | C24H34O4

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

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID31125845

  • 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-méthylpropanoate de butyle [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-3-acetic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-α,α,6,6,9-pentamethyl-, butyl ester, (6aR,10aR)- [ACD/Index Name]
Butyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoate [ACD/IUPAC Name]
Butyl-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoat [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: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 138.5±22.2 °C
Index of Refraction: 1.521
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62624.17
ACD/KOC (pH 5.5): 94422.13
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62025.27
ACD/KOC (pH 7.4): 93519.15
Polar Surface Area: 56 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

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