ChemSpider 2D Image | [1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetate | C23H33O5

[1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetate

  • Molecular FormulaC23H33O5
  • Average mass389.506 Da
  • Monoisotopic mass389.233337 Da
  • ChemSpider ID95640236

  • Charge - Charge

More details:

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

[1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetat [German] [ACD/IUPAC Name]
[1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetate [ACD/IUPAC Name]
[1-Hydroxy-9-(hydroxyméthyl)-6,6-diméthyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-9-yl]acétate [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-9-acetic acid, 6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 526.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 175.0±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 954.46
ACD/KOC (pH 5.5): 2613.55
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 14.99
ACD/KOC (pH 7.4): 41.06
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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