Methyl 3-Hydroxy-4-methylpentanoate - CAS 65596-31-8

Catalog:	BB056495
Product Name:	Methyl 3-Hydroxy-4-methylpentanoate
CAS:	65596-31-8
Synonyms:	3-Hydroxy-4-methyl-valeric Acid Methyl Ester; 3-Hydroxy-4-methyl-pentanoic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 3-hydroxy-4-methylpentanoate
Description:	Methyl 3-Hydroxy-4-methylpentanoate is an intermediate in synthesizing 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement.
Molecular Weight:	146.19
Molecular Formula:	C7H14O3
Canonical SMILES:	CC(C)C(CC(=O)OC)O
InChI:	InChI=1S/C7H14O3/c1-5(2)6(8)4-7(9)10-3/h5-6,8H,4H2,1-3H3
InChI Key:	HIUDWDUEXPJHRR-UHFFFAOYSA-N
Solubility:	Chloroform (Soluble), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	Refrigerator, Under inert atmosphere
References:	Fukuzumi, T., et al. Agri. Biol. Chem., 29, 967 (1965); Zhang, Y., et al. Tetrahedron, 59, 8979 (2003).

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.094294304
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8