ChemSpider 2D Image | (R,E)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5H)-one | C14H19N3O2S

(R,E)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5H)-one

  • Molecular FormulaC14H19N3O2S
  • Average mass293.385 Da
  • Monoisotopic mass293.119812 Da
  • ChemSpider ID35035629

  • 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

(5R)-3-(4-Azidobutyl)-4-hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenon [German] [ACD/IUPAC Name]
(5R)-3-(4-Azidobutyl)-4-hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenone [ACD/IUPAC Name]
(5R)-3-(4-Azidobutyl)-4-hydroxy-5-méthyl-5-[(1E)-2-méthyl-1,3-butadién-1-yl]-2(5H)-thiophénone [French] [ACD/IUPAC Name]
(R,E)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5H)-one
2(5H)-Thiophenone, 3-(4-azidobutyl)-4-hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-, (5R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 21.87
ACD/KOC (pH 5.5): 160.34
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

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