| CAS Number | 18593-92-5 |
| Catalog Number | AG0076BQ(AGN-PC-03AJYF) |
| Chemical Name | 3-Methyl-2-(propan-2-yl)butan-1-ol |
| IUPAC Name | 3-methyl-2-propan-2-ylbutan-1-ol |
| InChI | InChI=1S/C8H18O/c1-6(2)8(5-9)7(3)4/h6-9H,5H2,1-4H3 |
| InChI Key | IDGDEUZERZKYHG-UHFFFAOYSA-N |
| MDL Number | MFCD25960359 |
| Molecular Formula | C8H18O |
| Molecular Weight | 130.2279 |
| SMILES | CC(C(C(C)C)CO)C |
| Synonyms | 18593-92-5,
3-Methyl-2-(propan-2-yl)butan-1-ol,
2-Isopropyl-3-methyl-1-butanol,
3-METHYL-2-ISOPROPYL-1-BUTANOL,
SCHEMBL903728,
CTK4D9107,
DTXSID20612760,
ZINC114814605,
1-Butanol, 3-methyl-2-(1-methylethyl)-,
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| Complexity | 59 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.231g/mol |
| Monoisotopic Mass | 130.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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