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(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
Catalog NumberACM111536379
CAS Number111536-37-9
CategoryEpoxy-functionalized Pheromone
| Synonyms | (1S,1'Z,2R,4S)-(?)-Epoxybisabolene;(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane;111536-37-9 |
| IUPAC Name | (1S,4S,6R)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane |
| Molecular Weight | 220.35g/mol |
| Molecular Formula | C15H24O |
| Canonical SMILES | CC(=CCC=C(C)C1CCC2(C(C1)O2)C)C |
| InChI | InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6-7,13-14H,5,8-10H2,1-4H3/b12-7-/t13-,14+,15-/m0/s1 |
| InChI Key | BOWJPMUUGHPAAF-OIQKGARISA-N |
| Complexity | 322 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 220.182715385g/mol |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 220.182715385g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12.5Ų |
| X Log P3 | 4.3 |
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