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4-Methylpentanal
| Catalog Number | ACM1119160-1 |
| CAS | 1119-16-0 |
| Structure | ![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/1119-16-0.gif) |
| IUPAC Name | 4-methylpentanal |
| Synonyms | 4-methylpentanal;4-Methylvaleraldehyde;1119-16-0;isocaproaldehyde;Pentanal, 4-methyl-;isohexanal;4-Methyl valeraldehyde;Valeraldehyde, 4-methyl-;UNII-T0AO9E93RH;4-METHYLPENTALDEHYDE;T0AO9E93RH;EINECS 214-273-0;BRN 0506059;isohexana;AI3-30050;4-methyl-pentanal;4-methyl-Valeraldehyde;Alkanal(C4-19);CC(C)C[CH]C=O;3-01-00-02836 (Beilstein Handbook Reference);SCHEMBL107778;DTXSID8061509;CHEBI:17998;ALBB-032087;isocaproaldehyde: 4-methyl-Pentanal;ZINC1529424;MFCD00871507;AKOS011896097;EBD3321281;NE33128;BS-12750;FT-0672033;Y1162;C02373;Q17517938 |
| Molecular Weight | 100.16g/mol |
| Molecular Formula | C6H12O |
| Canonical SMILES | CC(C)CCC=O |
| InChI | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 |
| InChI Key | JGEGJYXHCFUMJF-UHFFFAOYSA-N |
| Complexity | 48.1 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 214-273-0 |
| Exact Mass | 100.088815002g/mol |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 100.088815002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1Ų |
| UNII | T0AO9E93RH |
| X Log P3 | 1.3 |
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