ChemSpider 2D Image | (3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethyl-beta-alaninate | C22H37NO5

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethyl-β-alaninate

  • Molecular FormulaC22H37NO5
  • Average mass395.533 Da
  • Monoisotopic mass395.267181 Da
  • ChemSpider ID35034257

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethyl-β-alaninate [ACD/IUPAC Name]
(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl-N,N-dimethyl-β-alaninat [German] [ACD/IUPAC Name]
[(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Bis(Oxidanylidene)-1-Oxacyclododec-9-En-4-Yl] 3-(Dimethylamino)propanoate
N,N-Diméthyl-β-alaninate de (3R,4S,5S,7R,9E,11R,12R)-12-éthyl-3,5,7,11-tétraméthyl-2,8-dioxooxacyclododéc-9-én-4-yle [French] [ACD/IUPAC Name]
β-Alanine, N,N-dimethyl-, (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl ester [ACD/Index Name]
[(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Bis(Oxidanylidene)-1-Xacyclododec -9-En-4-Yl] 3-(Dimethylamino)propanoate
QLE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.491
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 104.59
Polar Surface Area: 73 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

Click to predict properties on the Chemicalize site


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