| CAS Number | 149105-25-9 |
| Catalog Number | AG00HXON(AGN-PC-0N3350) |
| Chemical Name | Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, methyl ester |
| IUPAC Name | methyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate |
| InChI | InChI=1S/C16H24O3/c1-12-7-8-13(2)14(11-12)19-10-6-9-16(3,4)15(17)18-5/h7-8,11H,6,9-10H2,1-5H3 |
| InChI Key | YKCQSETYDHFYFZ-UHFFFAOYSA-N |
| MDL Number | MFCD03411589 |
| Molecular Formula | C16H24O3 |
| Molecular Weight | 264.3600 |
| SMILES | O=C(OC)C(C)(C)CCCOC1=CC(C)=CC=C1C |
| Synonyms | methyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate,
149105-25-9,
SCHEMBL8912551,
ZINC2524892,
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, methyl ester,
Methyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate (Gemfibrozil Methyl Ester),
CID10355451,
Methyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.365g/mol |
| Monoisotopic Mass | 264.173g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number