ChemSpider 2D Image | 6-[(6a-Hydroxydecahydrodibenzo[c,e][1,2]dioxin-4a(2H)-yl)oxy]-6-oxohexanoic acid | C18H28O7

6-[(6a-Hydroxydecahydrodibenzo[c,e][1,2]dioxin-4a(2H)-yl)oxy]-6-oxohexanoic acid

  • Molecular FormulaC18H28O7
  • Average mass356.411 Da
  • Monoisotopic mass356.183502 Da
  • ChemSpider ID23154203

More details:

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

6-[(6a-Hydroxydecahydrodibenzo[c,e][1,2]dioxin-4a(2H)-yl)oxy]-6-oxohexanoic acid [ACD/IUPAC Name]
6-[(6a-Hydroxydecahydrodibenzo[c,e][1,2]dioxin-4a(2H)-yl)oxy]-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-[(6a-hydroxydécahydrodibenzo[c,e][1,2]dioxin-4a(2H)-yl)oxy]-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanedioic acid, mono(decahydro-6a-hydroxydibenzo[c,e][1,2]dioxin-4a(2H)-yl) ester [ACD/Index Name]
Hexanedioic acid mono-(10a-hydroxy-decahydro-9,10-dioxa-phenanthren-8a-yl) ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 175.8±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 6.33
ACD/KOC (pH 5.5): 73.29
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 102 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 277.7±5.0 cm3

Click to predict properties on the Chemicalize site


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