trans-4-Hydroxy-cyclohexane-carboxylic Acid tert-Butyl Ester - CAS 869193-57-7

Catalog:	BB076695
Product Name:	trans-4-Hydroxy-cyclohexane-carboxylic Acid tert-Butyl Ester
CAS:	869193-57-7
Synonyms:	1,1-Dimethylethyl trans-4-Hydroxycyclohexanecarboxylate;tert-Butyl trans-4-Hydroxycyclohexanecarboxylate

Technical Data

IUPAC Name:	tert-butyl 4-hydroxycyclohexane-1-carboxylate
Description:	trans-4-Hydroxy-cyclohexane-carboxylic acid tert-butyl ester is an intermediate in the preparation of thiadiazole and oxadiazole derivatives as inhibitors of biosynthesis of triglycerides.
Molecular Weight:	200.27
Molecular Formula:	C11H20O3
Canonical SMILES:	CC(C)(C)OC(=O)C1CCC(CC1)O
InChI:	InChI=1S/C11H20O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9,12H,4-7H2,1-3H3
InChI Key:	MVSANBPTBLEQMT-UHFFFAOYSA-N
References:	Fett, E., et al. PCT Int. Appl. WO 2010086551, 113, (2010).

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.1412445
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.1412445
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7