ChemSpider 2D Image | cis-4-[(2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclohexanecarboxylic acid | C18H31N3O6

cis-4-[(2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclohexanecarboxylic acid

  • Molecular FormulaC18H31N3O6
  • Average mass385.455 Da
  • Monoisotopic mass385.221283 Da
  • ChemSpider ID60497860

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide cis-4-[(2,2,10,10-tétraméthyl-4,8-dioxo-3,9-dioxa-5,7-diazaundécan-6-ylidène)amino]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-4-[(2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-yliden)amino]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
cis-4-[(2,2,10,10-Tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]amino]-, cis- [ACD/Index Name]
1263045-22-2 [RN]
4-cis-[(Boc)2-Guanidino]cyclohexane carboxylic acid
4-cis-[Bis(tert-butyloxycarbonyl)-guanidino]cyclohexane carboxylic acid
MFCD18426571

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.92
ACD/KOC (pH 5.5): 165.91
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 126 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

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