ChemSpider 2D Image | (4E,7S)-N-{(2E)-3-Chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propen-1-yl}-7-methoxy-4-dodecenamide | C26H42ClNO5

(4E,7S)-N-{(2E)-3-Chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propen-1-yl}-7-methoxy-4-dodecenamide

  • Molecular FormulaC26H42ClNO5
  • Average mass484.068 Da
  • Monoisotopic mass483.275146 Da
  • ChemSpider ID20058653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4E,7S)-N-{(2E)-3-Chlor-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propen-1-yl}-7-methoxy-4-dodecenamid [German] [ACD/IUPAC Name]
(4E,7S)-N-{(2E)-3-Chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propen-1-yl}-7-methoxy-4-dodecenamide [ACD/IUPAC Name]
(4E,7S)-N-{(2E)-3-Chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tétraméthyl-4,6-dioxocyclohexyl]-2-propén-1-yl}-7-méthoxy-4-dodécénamide [French] [ACD/IUPAC Name]
(4E,7S)-N-{(2E)-3-Chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]prop-2-en-1-yl}-7-methoxydodec-4-enamide
4-Dodecenamide, N-[(2E)-3-chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propen-1-yl]-7-methoxy-, (4E,7S)- [ACD/Index Name]
4-dodecenamide, N-[(2E)-3-chloro-2-[(2R,3S)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propenyl]-7-methoxy-, (4E,7S)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.500
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1943.73
ACD/KOC (pH 5.5): 7863.26
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1943.73
ACD/KOC (pH 7.4): 7863.25
Polar Surface Area: 93 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 449.6±3.0 cm3

Click to predict properties on the Chemicalize site


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