Ethyl (R)-6-Hydroxy-3-methylhexanoate - CAS 135011-13-1

Catalog:	BB008052
Product Name:	Ethyl (R)-6-Hydroxy-3-methylhexanoate
CAS:	135011-13-1
Synonyms:	6-hydroxy-3-methylhexanoic acid ethyl ester; ethyl 6-hydroxy-3-methylhexanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 6-hydroxy-3-methylhexanoate
Description:	Ethyl (R)-6-Hydroxy-3-methylhexanoate (CAS# 135011-13-1 ) is a useful research chemical.
Molecular Weight:	174.24
Molecular Formula:	C9H18O3
Canonical SMILES:	CCOC(=O)CC(C)CCCO
InChI:	InChI=1S/C9H18O3/c1-3-12-9(11)7-8(2)5-4-6-10/h8,10H,3-7H2,1-2H3
InChI Key:	SSJQOTXWMLWHOK-UHFFFAOYSA-N
LogP:	1.34820

Publication Number	Title	Priority Date
TW-201722919-A	Peroxisome proliferator-activated receptor (PPAR) agonist, compound thereof, pharmaceutical composition thereof and use method thereof	20151007
TW-201943705-A	Peroxisome proliferator-activated receptor (PPAR) agonist, its compound, its pharmaceutical composition, and method of using the same	20151007
WO-2017062468-A1	Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof	20151007
TW-202012375-A	Peroxisome proliferator-activated receptor (PPAR) agonist compound and its pharmaceutical composition and method of use	20151007
EP-3770146-A1	Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof	20151007

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Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.125594432
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.125594432
Rotatable Bond Count:	7
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2