ChemSpider 2D Image | 3-Formyl-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate | C24H29ClO5

3-Formyl-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

  • Molecular FormulaC24H29ClO5
  • Average mass432.937 Da
  • Monoisotopic mass432.170349 Da
  • ChemSpider ID35014634

More details:

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

3-Chloro-6-hydroxy-4-méthoxy-2-méthylbenzoate de 3-formyl-6,6,7b-triméthyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
3-Formyl-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate [ACD/IUPAC Name]
3-Formyl-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-3-chlor-6-hydroxy-4-methoxy-2-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 3-formyl-2,4,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Armillaricin

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 182742.42
ACD/KOC (pH 5.5): 201973.78
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 67715.86
ACD/KOC (pH 7.4): 74842.10
Polar Surface Area: 73 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 336.3±5.0 cm3

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