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Ethyl 4-methyloctanoate
| Catalog Number | ACM56196533-1 |
| CAS | 56196-53-3 |
| Structure |  |
| IUPAC Name | ethyl 4-methyloctanoate |
| Synonyms | Ethyl 4-methyloctanoate;56196-53-3;Oryctalure;54831-51-5;ethyl 4-methyl-octanoate;WE(2:0/8:0(4Me));Ethyl 4-metiloctanoate;Octanoic acid, 4-methyl-, ethyl ester;EINECS 260-051-1;Octanoic acid, 4-methyl-, ethyl ester, (.+/-.)-;Ethyl 4-methyloctanoate #;SCHEMBL434247;4-methyloctanoic acid ethyl ester;DTXSID40971583;4-Methyl-octanoic acid ethylester;AMY40797;LMFA07010521;MFCD02262189;AKOS006276325;AS-57878;FT-0699596 |
| Molecular Weight | 186.29g/mol |
| Molecular Formula | C11H22O2 |
| Canonical SMILES | CCCCC(C)CCC(=O)OCC |
| InChI | InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3 |
| InChI Key | GXARNRCIGKRBAP-UHFFFAOYSA-N |
| Complexity | 132 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 260-051-1 |
| Exact Mass | 186.161979940g/mol |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 186.161979940g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 26.3Ų |
| X Log P3 | 3.7 |
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