ChemSpider 2D Image | 3-Formyl-2a,7-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate | C23H27ClO7

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

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID35013835

More details:

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

3-Chloro-4,6-dihydroxy-2-méthylbenzoate de 3-formyl-2a,7-dihydroxy-6,6,7b-triméthyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
3-Formyl-2a,7-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate [ACD/IUPAC Name]
3-Formyl-2a,7-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-3-chlor-4,6-dihydroxy-2-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
6'-Chloro-10a-hydroxymelleolide
Melleolide L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 554.20
ACD/KOC (pH 5.5): 3121.15
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 64.40
ACD/KOC (pH 7.4): 362.69
Polar Surface Area: 124 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 307.2±5.0 cm3

Click to predict properties on the Chemicalize site


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