| CAS Number | 2044712-88-9 |
| Catalog Number | AG01B24L |
| Chemical Name | tert-butyl 1-oxaspiro[2.5]octane-6-carboxylate |
| IUPAC Name | tert-butyl 1-oxaspiro[2.5]octane-6-carboxylate |
| InChI | InChI=1S/C12H20O3/c1-11(2,3)15-10(13)9-4-6-12(7-5-9)8-14-12/h9H,4-8H2,1-3H3 |
| InChI Key | RETJLOIXVGBOIJ-UHFFFAOYSA-N |
| MDL Number | MFCD30476092 |
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.2854 |
| SMILES | CC(OC(C1CCC2(OC2)CC1)=O)(C)C |
| Synonyms | tert-butyl 1-oxaspiro[2.5]octane-6-carboxylate,
2044712-88-9,
tert-butyl 1-oxaspiro[2,5]octane-6-carboxylate,
ZINC521398943,
856680-27-8,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.289g/mol |
| Monoisotopic Mass | 212.141g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number