ChemSpider 2D Image | (5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione | C17H19ClO5

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

  • Molecular FormulaC17H19ClO5
  • Average mass338.783 Da
  • Monoisotopic mass338.092102 Da
  • ChemSpider ID22377921

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-13-Chlor-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,11(12H)-dion [German] [ACD/IUPAC Name]
(5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione [ACD/IUPAC Name]
(5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,11(12H)-dione [French] [ACD/IUPAC Name]
(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,7,8,9,10-hexahydro-14,16-dihydroxy-, (5E)- [ACD/Index Name]
13-chloro-14,16-dihydroxy-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,11-dione
13-chloro-14,16-dihydroxy-4,7,8,9,10,12-hexahydro-3H-2-benzoxacyclotetradecine-1,11-dione
Microlactone, 15a

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 315.5±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 630.89
ACD/KOC (pH 5.5): 3359.56
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 42.42
ACD/KOC (pH 7.4): 225.87
Polar Surface Area: 84 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 264.3±3.0 cm3

Click to predict properties on the Chemicalize site


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