ChemSpider 2D Image | 13-Chloro-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione | C18H23ClO5

13-Chloro-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione

  • Molecular FormulaC18H23ClO5
  • Average mass354.825 Da
  • Monoisotopic mass354.123413 Da
  • ChemSpider ID30789512

More details:

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

13-Chlor-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1,11(12H)-dion [German] [ACD/IUPAC Name]
13-Chloro-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione [ACD/IUPAC Name]
13-Chloro-14,16-dihydroxy-3-méthyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotétradécine-1,11(12H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl- [ACD/Index Name]
Microlactone, 17

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2374.21
ACD/KOC (pH 5.5): 8699.04
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 170.80
ACD/KOC (pH 7.4): 625.82
Polar Surface Area: 84 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 291.0±3.0 cm3

Click to predict properties on the Chemicalize site


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