ChemSpider 2D Image | (8E)-14-Chloro-11,13-dihydroxy-4,5,9-trimethyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione | C18H21ClO5

(8E)-14-Chloro-11,13-dihydroxy-4,5,9-trimethyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione

  • Molecular FormulaC18H21ClO5
  • Average mass352.809 Da
  • Monoisotopic mass352.107758 Da
  • ChemSpider ID58989316

  • Double-bond stereo - Double-bond stereo

More details:

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

(8E)-14-Chlor-11,13-dihydroxy-4,5,9-trimethyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecin-2,10(1H)-dion [German] [ACD/IUPAC Name]
(8E)-14-Chloro-11,13-dihydroxy-4,5,9-trimethyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione [ACD/IUPAC Name]
(8E)-14-Chloro-11,13-dihydroxy-4,5,9-triméthyl-4,5,6,7-tétrahydro-2H-3-benzoxacyclododécine-2,10(1H)-dione [French] [ACD/IUPAC Name]
2H-3-Benzoxacyclododecin-2,10(1H)-dione, 14-chloro-4,5,6,7-tetrahydro-11,13-dihydroxy-4,5,9-trimethyl-, (8E)- [ACD/Index Name]
14-deoxy-oxacylododecindione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1531.35
ACD/KOC (pH 5.5): 6271.62
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 84.19
ACD/KOC (pH 7.4): 344.81
Polar Surface Area: 84 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 286.8±3.0 cm3

Click to predict properties on the Chemicalize site


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