ChemSpider 2D Image | (3S,11E)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl dibenzoate | C32H30O7

(3S,11E)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl dibenzoate

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID17462780

  • 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)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14,16-diyl-dibenzoat [German] [ACD/IUPAC Name]
(3S,11E)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl dibenzoate [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14,16-bis(benzoyloxy)-3,4,5,6,9,10-hexahydro-3-methyl-, (3S,11E)- [ACD/Index Name]
Dibenzoate de (3S,11E)-3-méthyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotétradécine-14,16-diyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 315.0±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14788.80
ACD/KOC (pH 5.5): 33606.70
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14788.80
ACD/KOC (pH 7.4): 33606.70
Polar Surface Area: 96 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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