ChemSpider 2D Image | N,N-Diethyl-2-({2-[(3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)ethanaminium | C28H48NO4S

N,N-Diethyl-2-({2-[(3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)ethanaminium

  • Molecular FormulaC28H48NO4S
  • Average mass494.750 Da
  • Monoisotopic mass494.329865 Da
  • ChemSpider ID21432805

  • Charge - Charge

More details:

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

Acetic acid, 2-[[2-(diethylamino)ethyl]thio]-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, conjugate acid [ACD/Index Name]
N,N-Diethyl-2-({2-[(3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)ethanaminium [ACD/IUPAC Name]
N,N-Diethyl-2-({2-[(3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)ethanaminium [German] [ACD/IUPAC Name]
N,N-Diéthyl-2-({2-[(3-hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yl)oxy]-2-oxoéthyl}sulfanyl)éthanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 563.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 294.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 9.08
ACD/KOC (pH 5.5): 22.64
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 56.59
ACD/KOC (pH 7.4): 141.12
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

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