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 |
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 |
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 |
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