ChemSpider 2D Image | (5E)-14-Chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3H,13H)-dione | C18H21ClO5

(5E)-14-Chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3H,13H)-dione

  • Molecular FormulaC18H21ClO5
  • Average mass352.809 Da
  • Monoisotopic mass352.107758 Da
  • ChemSpider ID34962909

More details:

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

(5E)-14-Chlor-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecin-1,12(3H,13H)-dion [German] [ACD/IUPAC Name]
(5E)-14-Chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3H,13H)-dione [ACD/IUPAC Name]
(5E)-14-Chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadécine-1,12(3H,13H)-dione [French] [ACD/IUPAC Name]
2-Benzoxacyclopentadecin-1,12(3H,13H)-dione, 14-chloro-4,7,8,9,10,11-hexahydro-15,17-dihydroxy-, (5E)- [ACD/Index Name]
Microlactone, 15h

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 319.6±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1183.28
ACD/KOC (pH 5.5): 5269.90
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 79.63
ACD/KOC (pH 7.4): 354.65
Polar Surface Area: 84 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement