2,2,3,4-Tetramethylpentane

• CAT Number: M046558
• CAS Number: 1186-53-4
• Molecular Formula: C9H20
• Molecular Weight: 128.259
• Purity: ≥95%
• Synonyms: Pentane, 2,2,3,4-tetramethyl-
• Storage: Desiccate at -20C
• IUPAC Name: 2,2,3,4-tetramethylpentane
• InChI: InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
• InChIKey: VZFMYOCAEQDWDY-UHFFFAOYSA-N
• SMILES: CC(C)C(C)C(C)(C)C

Reference

[1]. Nilov, D.Y., Smolyakov, V.M. Graphic model for calculating the entropy of С11Н24 alkanes with allowance for multiple non-valence interactions through three atoms along the chain of a molecule. Russ. J. Phys. Chem. 90, 1702–1705 (2016). https://doi.org/10.1134/S0036024416080203
[2]. Cao, C.-T., Yuan, H. and Cao, C. (2015), New concept of organic homo-rank compounds and its application in estimating enthalpy of formation of mono-substituted alkanes. J. Phys. Org. Chem., 28: 266– 280. doi: 10.1002/poc.3405.
[3]. Grigorev, V.Y., Grigoreva, L.D. Calculation and properties of fractal descriptors for C2–C9 alkanes. Moscow Univ. Chem. Bull. 71, 199–204 (2016). https://doi.org/10.3103/S0027131416030056