ChemSpider 2D Image | (4R,4'R,5R)-2,2,2',2'-Tetramethyl-5-[(1R,2R)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolane | C13H21NO6

(4R,4'R,5R)-2,2,2',2'-Tetramethyl-5-[(1R,2R)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolane

  • Molecular FormulaC13H21NO6
  • Average mass287.309 Da
  • Monoisotopic mass287.136902 Da
  • ChemSpider ID25995125
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(4R,4'R,5R)-2,2,2',2'-Tetramethyl-5-[(1R,2R)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolan [German] [ACD/IUPAC Name]
(4R,4'R,5R)-2,2,2',2'-Tetramethyl-5-[(1R,2R)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolane [ACD/IUPAC Name]
(4R,4'R,5R)-2,2,2',2'-Tétraméthyl-5-[(1R,2R)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolane [French] [ACD/IUPAC Name]
4,4'-Bi-1,3-dioxolane, 2,2,2',2'-tetramethyl-5-[(1R,2R)-2-nitrocyclopropyl]-, (4R,4'R,5R)- [ACD/Index Name]
1201-42-9 [RN]
Ethanone,2-chloro-1-(2,4,5-trichlorophenyl)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 366.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 145.0±29.9 °C
Index of Refraction: 1.518
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.57
ACD/KOC (pH 5.5): 174.72
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 92.18
Polar Surface Area: 83 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 227.7±5.0 cm3

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