| CAS Number | 298693-03-5 |
| Catalog Number | AG01JHJB(AGN-PC-0WGC10) |
| Chemical Name | (4S,4'S)-2,2'-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole] |
| IUPAC Name | (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole |
| InChI | InChI=1S/C19H32N2O2/c1-17(2,3)13-11-22-15(20-13)19(9-7-8-10-19)16-21-14(12-23-16)18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1 |
| InChI Key | WGMVBTAYSGCATC-ZIAGYGMSSA-N |
| MDL Number | MFCD32201206 |
| Molecular Formula | C19H32N2O2 |
| Molecular Weight | 320.4696 |
| SMILES | CC(C)(C)[C@@H](CO1)N=C1C2(CCCC2)C3=N[C@@H](C(C)(C)C)CO3 |
| Synonyms | (4S,4'S)-2,2'-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],
CS-16085,
CS-0087865,
2,2'-(Cyclopentane-1,1-diyl)bis(4beta-tert-butyl-2-oxazoline),
298693-03-5,
CID10639448,
CID 10639448,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.246378g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.5g/mol |
| Monoisotopic Mass | 320.246378g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number