| CAS Number | 4798-46-3 |
| Catalog Number | AG01E4JS(AGN-PC-04QEY9) |
| Chemical Name | 5-Methyl-1-hexen-3-ol |
| IUPAC Name | 5-methylhex-1-en-3-ol |
| InChI | InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h4,6-8H,1,5H2,2-3H3 |
| InChI Key | AZAKXXGZWJWZLN-UHFFFAOYSA-N |
| MDL Number | MFCD18431689 |
| Molecular Formula | C7H14O |
| Molecular Weight | 114.1855 |
| SMILES | CC(CC(C=C)O)C |
| Synonyms | 5-methyl-1-hexen-3-ol,
ghl.PD_Mitscher_leg0.993,
5-methylhex-1-en-3-ol,
AC1NSS07,
5-methyl-hex-1-en-3-ol,
SCHEMBL1058410,
2-Propene-1-ol 2-Methylpropylester,
AKOS014320153,
4798-46-3,
CID5314815,
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| Complexity | 66.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.188g/mol |
| Monoisotopic Mass | 114.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number