| CAS Number | 110086-92-5 |
| Catalog Number | AG00HBO9(AGN-PC-0P07KU) |
| Chemical Name | 5-HYDROXY-2-METHYLPENTAN-2-YL ACETATE |
| IUPAC Name | (5-hydroxy-2-methylpentan-2-yl) acetate |
| InChI | InChI=1S/C8H16O3/c1-7(10)11-8(2,3)5-4-6-9/h9H,4-6H2,1-3H3 |
| InChI Key | QTDLZHXJNRYCJZ-UHFFFAOYSA-N |
| MDL Number | MFCD28015551 |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| SMILES | OCCCC(OC(=O)C)(C)C |
| Synonyms | 5-Hydroxy-2-methylpentan-2-yl acetate,
110086-92-5,
MFCD28015551,
ZINC140940450,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 160.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number