ChemSpider 2D Image | ILICICOLIN C | C23H31ClO4

ILICICOLIN C

  • Molecular FormulaC23H31ClO4
  • Average mass406.943 Da
  • Monoisotopic mass406.191101 Da
  • ChemSpider ID22842395

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

22562-67-0 [RN]
3-Chlor-4,6-dihydroxy-2-methyl-5-{(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyd [German] [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-2-methyl-5-{(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}benzaldehyde [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-2-méthyl-5-{(2E)-3-méthyl-5-[(1S,2R,6R)-1,2,6-triméthyl-3-oxocyclohexyl]-2-pentén-1-yl}benzaldéhyde [French] [ACD/IUPAC Name]
5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl]- [ACD/Index Name]
ILICICOLIN C

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

6AQ318S49N [DBID]
UNII:6AQ318S49N [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 283.3±24.3 °C
Index of Refraction: 1.556
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 39824.92
ACD/KOC (pH 5.5): 65476.55
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 3241.41
ACD/KOC (pH 7.4): 5329.24
Polar Surface Area: 75 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 355.8±3.0 cm3

Click to predict properties on the Chemicalize site


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