| CAS Number | 1339588-58-7 |
| Catalog Number | AG01BTQH |
| Chemical Name | 2-Tert-butyloxan-4-ol |
| IUPAC Name | 2-tert-butyloxan-4-ol |
| InChI | InChI=1S/C9H18O2/c1-9(2,3)8-6-7(10)4-5-11-8/h7-8,10H,4-6H2,1-3H3 |
| InChI Key | FKIAORYWWSODLH-UHFFFAOYSA-N |
| MDL Number | MFCD19650636 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CC(C1OCCC(O)C1)(C)C |
| Synonyms | 2-tert-butyloxan-4-ol,
2-tert-butyltetrahydro-2H-pyran-4-ol,
1339588-58-7,
2H-Pyran-4-ol, 2-(1,1-dimethylethyl)tetrahydro-,
SCHEMBL15655806,
FKIAORYWWSODLH-UHFFFAOYSA-N,
AKOS013421898,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number