ChemSpider 2D Image | 2,4-Dihydroxy-6-methyl-3-{(2E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyde | C23H32O4

2,4-Dihydroxy-6-methyl-3-{(2E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyde

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID127384432

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,4-Dihydroxy-6-methyl-3-{(2E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyd [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-methyl-3-{(2E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyde [ACD/IUPAC Name]
2,4-Dihydroxy-6-méthyl-3-{(2E)-3-méthyl-5-[(1R,2R,6R)-1,2,6-triméthyl-3-oxocyclohexyl]-2-pentén-1-yl}benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2,4-dihydroxy-6-methyl-3-[(2E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl]- [ACD/Index Name]
2,4-Dihydroxy-6-methyl-3-((2E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl)-2-penten-1-yl)benzaldehyde
2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
22562-68-1 [RN]
LL-Z 1272e

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 291.5±20.8 °C
Index of Refraction: 1.549
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7871.84
ACD/KOC (pH 5.5): 21355.62
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5008.73
ACD/KOC (pH 7.4): 13588.23
Polar Surface Area: 75 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 343.9±3.0 cm3

Click to predict properties on the Chemicalize site


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