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5-Methyl-1-hexanol
| Catalog Number | ACM627985 |
| CAS | 627-98-5 |
| Structure |  |
| IUPAC Name | 5-methylhexan-1-ol |
| Synonyms | 5-Methylhexan-1-ol;5-METHYL-1-HEXANOL;627-98-5;5-methylhexanol;Isoheptanol;Isoheptan-1-ol;1-Hexanol, 5-methyl-;51774-11-9;5-Methyl-hexan-1-ol;UNII-1PLY0QE25K;1PLY0QE25K;UNII-Q766MX3689;MFCD00072703;Q766MX3689;EINECS 257-413-6;isoheptyl alcohol;EINECS 211-023-2;5-Methylhexanol-[d7];ACMC-1AXQ8;Isoheptanol (mixed isomers);5-Methyl-1-hexanol, 97%;SCHEMBL104527;DTXSID4075326;ZINC2031628;GEO-01853;AKOS009156368;FS-5402;SY083602;BB 0258104;FT-0671815;FT-0671816;R1957;W-109236 |
| Molecular Weight | 116.20g/mol |
| Molecular Formula | C7H16O;C7H16O |
| Canonical SMILES | CC(C)CCCCO |
| InChI | InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3 |
| InChI Key | ZVHAANQOQZVVFD-UHFFFAOYSA-N |
| Boiling Point | 170.0 °C |
| Complexity | 41.7 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 211-023-2;257-413-6 |
| Exact Mass | 116.120115130g/mol |
| Hazard Statements | H314-H317 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 116.120115130g/mol |
| Rotatable Bond Count | 4 |
| Symbol | GHS05 |
| Topological Polar Surface Area | 20.2Ų |
| UNII | Q766MX3689;1PLY0QE25K |
| X Log P3 | 2.1 |
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