(2R)-2-Methyl-butanoic Acid Methyl Ester - CAS 55449-44-0

Catalog:	BB059881
Product Name:	(2R)-2-Methyl-butanoic Acid Methyl Ester
CAS:	55449-44-0
Synonyms:	(R)-2-Methyl-butanoic Acid Methyl Ester; (-)-Methyl 2-Methylbutanoate; (-)-Methyl 2-Methylbutyrate; (-)-Methyl α-Methylbutyrate; Methyl (R)-2-Methylbutanoate

Technical Data

IUPAC Name:	methyl (2R)-2-methylbutanoate
Description:	(2R)-2-Methyl-butanoic Acid Methyl Ester is used as a chiral stationary phase in gas chromatography to allow the separation of enantiomers.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CCC(C)C(=O)OC
InChI:	InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3/t5-/m1/s1
InChI Key:	OCWLYWIFNDCWRZ-RXMQYKEDSA-N
References:	Takahisa, E., et al. J. Chromat. A, 1076, 148 (2005); Freissinet, C., et al. J. Chromat. A, 1306, 59 (2013).

Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5