| Catalog Number | ACM81309902 |
| CAS | 81309-90-2 |
| IUPAC Name | (2S,3R)-2-[(2Z,5Z)-octa-2,5-dienyl]-3-undecyloxirane |
| Synonyms | 9R,10S-Epoxy-3Z,6Z-heneicosadiene;DEEP;SCHEMBL5442207;LMFA12000320;AKOS015959105;(3z,6z,9s,10r)-9,10-epoxyheneicosa-3,6-diene;(2S,3R)-2-[(2Z,5Z)-octa-2,5-dienyl]-3-undecyloxirane;(2S,3R)-2-((2Z,5Z)-Octa-2,5-dien-1-yl)-3-undecyloxirane;81309-90-2 |
| Molecular Weight | 306.5g/mol |
| Molecular Formula | C21H38O |
| Canonical SMILES | CCCCCCCCCCCC1C(O1)CC=CCC=CCC |
| InChI | InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m0/s1 |
| InChI Key | HQCGSJRACGWHOF-AEULXZPHSA-N |
| Complexity | 292 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 306.292265831g/mol |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 306.292265831g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 12.5Ų |
| X Log P3 | 8.3 |