ChemSpider 2D Image | (3S,11E)-16-Hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C26H28O6

(3S,11E)-16-Hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC26H28O6
  • Average mass436.497 Da
  • Monoisotopic mass436.188599 Da
  • ChemSpider ID21834965

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,11E)-16-Hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3S,11E)-16-Hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3S,11E)-16-Hydroxy-3-méthyl-14-(2-oxo-2-phényléthoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-, (3S,11E)- [ACD/Index Name]
(3S)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-2,3,4,5,6,8,9,10-octahydrobenzo[a][14]annulene-1,7-dione
(3S)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 232.4±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1355.42
ACD/KOC (pH 5.5): 6044.83
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 575.74
ACD/KOC (pH 7.4): 2567.65
Polar Surface Area: 90 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


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