ChemSpider 2D Image | (1Z,7E)-8-Methoxy-2-[2-methyl-1-(phenylsulfonyl)propyl]-1-phenoxy-1,7-octadiene-1,8-diol | C25H32O6S

(1Z,7E)-8-Methoxy-2-[2-methyl-1-(phenylsulfonyl)propyl]-1-phenoxy-1,7-octadiene-1,8-diol

  • Molecular FormulaC25H32O6S
  • Average mass460.583 Da
  • Monoisotopic mass460.191956 Da
  • ChemSpider ID95719364

More details:

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

(1Z,7E)-8-Methoxy-2-[2-methyl-1-(phenylsulfonyl)propyl]-1-phenoxy-1,7-octadien-1,8-diol [German] [ACD/IUPAC Name]
(1Z,7E)-8-Methoxy-2-[2-methyl-1-(phenylsulfonyl)propyl]-1-phenoxy-1,7-octadiene-1,8-diol [ACD/IUPAC Name]
(1Z,7E)-8-Méthoxy-2-[2-méthyl-1-(phénylsulfonyl)propyl]-1-phénoxy-1,7-octadiène-1,8-diol [French] [ACD/IUPAC Name]
1,7-Octadiene-1,8-diol, 8-methoxy-2-[2-methyl-1-(phenylsulfonyl)propyl]-1-phenoxy-, (1Z,7E)- [ACD/Index 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: 681.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1095.83
ACD/KOC (pH 5.5): 5216.44
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1047.30
ACD/KOC (pH 7.4): 4985.45
Polar Surface Area: 101 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 386.4±3.0 cm3

Click to predict properties on the Chemicalize site


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