Found 74 results

Search term: MF = 'C_{29}H_{32}ClNO_{6}'
ChemSpider 2D Image | 2-Chloro-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydro-2-furanyl]-3-methyl-2,6-octadien-1-yl}-4-formyl-5-hydroxy-3-methylphenyl isonicotinate | C29H32ClNO6

2-Chloro-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydro-2-furanyl]-3-methyl-2,6-octadien-1-yl}-4-formyl-5-hydroxy-3-methylphenyl isonicotinate

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID9126732

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Chlor-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydro-2-furanyl]-3-methyl-2,6-octadien-1-yl}-4-formyl-5-hydroxy-3-methylphenyl-isonicotinat [German] [ACD/IUPAC Name]
2-Chloro-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydro-2-furanyl]-3-methyl-2,6-octadien-1-yl}-4-formyl-5-hydroxy-3-methylphenyl isonicotinate [ACD/IUPAC Name]
2-chloro-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl}-4-formyl-5-hydroxy-3-methylphenyl pyridine-4-carboxylate
4-Pyridinecarboxylic acid, 2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]phenyl ester [ACD/Index Name]
Isonicotinate de 2-chloro-6-{(2E,6E)-7-[(2S)-5,5-diméthyl-4-oxotétrahydro-2-furanyl]-3-méthyl-2,6-octadién-1-yl}-4-formyl-5-hydroxy-3-méthylphényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL336558/
Isonicotinic acid 2-chloro-6-[(E)-7-((S)-5,5-dimethyl-4-oxo-tetrahydro-furan-2-yl)-3-methyl-octa-2,6-dienyl]-4-formyl-5-hydroxy-3-methyl-phenyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35038.82
ACD/KOC (pH 5.5): 61433.93
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 7407.89
ACD/KOC (pH 7.4): 12988.34
Polar Surface Area: 103 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 426.8±3.0 cm3

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