| CAS Number | 1266663-89-1 |
| Catalog Number | AG009FG4(AGN-PC-0WBNHC) |
| Chemical Name | (1R,5R,6R)-Ethyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate |
| IUPAC Name | ethyl (1R,5R,6R)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate |
| InChI | InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12-,13+/m1/s1 |
| InChI Key | XZXCGRFGEVXWIT-UPJWGTAASA-N |
| MDL Number | MFCD09833752 |
| Molecular Formula | C14H22O4 |
| Molecular Weight | 254.3221 |
| SMILES | CCC(CC)O[C@@H]1C=C(C[C@H]2O[C@@H]12)C(=O)OCC |
| Synonyms | 1266663-89-1,
(1R,5R,6R)-Ethyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate,
ZINC22012067,
AKOS027321629,
(1R,5R,6R)-5-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester,
XZXCGRFGEVXWIT-UPJWGTAASA-N,
CS-T-54574,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.326g/mol |
| Monoisotopic Mass | 254.152g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number