ChemSpider 2D Image | (16E)-4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C29H30O8

(16E)-4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID71278872

  • Double-bond stereo - Double-bond stereo

More details:

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

(16E)-4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-2,6,12(3H)-trion [German] [ACD/IUPAC Name]
(16E)-4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione [ACD/IUPAC Name]
(16E)-4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-méthyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotétradécino[3,4-g]chromène-2,6,12(3H)-trione [French] [ACD/IUPAC Name]
2H,6H-Pyrano[2,3-o][2]benzoxacyclotetradecin-2,6,12(3H)-trione, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,8,9,10,11,13,14,15-octahydro-5-hydroxy-8-methyl-, (16E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 221.8±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 967.07
ACD/KOC (pH 5.5): 4694.27
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 181.65
ACD/KOC (pH 7.4): 881.75
Polar Surface Area: 108 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement