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Search term: RKGCBPVNHBVKAS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3E,5E)-7-{2-[2-(4-Hydroxyphenyl)ethyl]-1,3-dithian-2-yl}-3,5-heptadien-2-one | C19H24O2S2

(3E,5E)-7-{2-[2-(4-Hydroxyphenyl)ethyl]-1,3-dithian-2-yl}-3,5-heptadien-2-one

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID74061248

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E)-7-{2-[2-(4-Hydroxyphenyl)ethyl]-1,3-dithian-2-yl}-3,5-heptadien-2-on [German] [ACD/IUPAC Name]
(3E,5E)-7-{2-[2-(4-Hydroxyphenyl)ethyl]-1,3-dithian-2-yl}-3,5-heptadien-2-one [ACD/IUPAC Name]
(3E,5E)-7-{2-[2-(4-Hydroxyphényl)éthyl]-1,3-dithian-2-yl}-3,5-heptadién-2-one [French] [ACD/IUPAC Name]
3,5-Heptadien-2-one, 7-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]-, (3E,5E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 281.1±25.9 °C
Index of Refraction: 1.591
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.99
ACD/KOC (pH 5.5): 4018.73
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 759.33
ACD/KOC (pH 7.4): 4009.98
Polar Surface Area: 88 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

Click to predict properties on the Chemicalize site


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