ChemSpider 2D Image | 2,4-Dihydroxy-3-{(2R)-2-hydroxy-3-methylene-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl}-6-methylbenzaldehyde | C23H32O5

2,4-Dihydroxy-3-{(2R)-2-hydroxy-3-methylene-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl}-6-methylbenzaldehyde

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID26388355
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,4-Dihydroxy-3-{(2R)-2-hydroxy-3-methylen-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl}-6-methylbenzaldehyd [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-{(2R)-2-hydroxy-3-methylene-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl}-6-methylbenzaldehyde [ACD/IUPAC Name]
2,4-Dihydroxy-3-{(2R)-2-hydroxy-3-méthylène-5-[(1S,2R,6R)-1,2,6-triméthyl-3-oxocyclohexyl]pentyl}-6-méthylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2,4-dihydroxy-3-[(2R)-2-hydroxy-3-methylene-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl]-6-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 316.2±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 899.82
ACD/KOC (pH 5.5): 4521.84
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 577.03
ACD/KOC (pH 7.4): 2899.74
Polar Surface Area: 95 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

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