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cis-7,8-Epoxy-2-methyloctadecane
Catalog NumberACM29804226-1
CAS Number29804-22-6
CategoryEpoxy-functionalized Pheromone; Pheromone Ingredients
| Synonyms | Disparlure;cis-7,8-Epoxy-2-methyloctadecane;Atralymon;Epoxan;29804-22-6;(-)-Disparlure;(Z)-7,8-Epoxy-2-methyloctadecane;UNII-E5FWS893X3;Oxirane, 2-decyl-3-(5-methylhexyl)-, cis-;Oxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-rel-;E5FWS893X3;2-methyl-7S,8R-Epoxy-octadecane;cis-(7S,8R)-(-)-epoxy-2-methyloctadecane;54910-52-0;(+-)-Disparlure;Disparlure (2S-cis);Caswell No. 424A;(+-)-cis-Disparlure;Disparlure, cis-(-)-;7S-cis-Disparlure;7,8-epoxy-2-methyloctadecane (disparlure);cis-(-)-Disparlure;(+/-)-cis-7,8-Epoxy-2-methyloctadecane;EINECS 249-861-6;EINECS 260-747-5;ENT 34886;EPA Pesticide Chemical Code 114301;cis-2-Decyl-3-(5-methylhexyl)oxirane;(7S,8R)-(-)-Disparlure;AI3-34886;(+/-)-Disparlure;(1)-cis-7,8-Epoxy-2-methyloctadecane;(2R,3S)-2-decyl-3-(5-methylhexyl)oxirane;(.+/-.)-cis-Disparlure;Oxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-;SCHEMBL2855219;DTXSID4035548;LMFA12000283;ZINC43068405;AKOS015913140;(.+/-cis-7,8-Epoxy-2-methyloctadecane;2-Decyl-3-(5-methylhexyl)oxirane, (Z)-;(7s,8r)-cis-7,8-epoxy-2-methyloctadecane;Octadecane, 7,8-epoxy-2-methyl-, cis- (8CI);Q1229127;UNII-1FU18G2315 component HFOFYNMWYRXIBP-MOPGFXCFSA-N |
| IUPAC Name | (2R,3S)-2-decyl-3-(5-methylhexyl)oxirane |
| Molecular Weight | 282.5g/mol |
| Molecular Formula | C19H38O |
| Canonical SMILES | CCCCCCCCCCC1C(O1)CCCCC(C)C |
| InChI | InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1 |
| InChI Key | HFOFYNMWYRXIBP-MOPGFXCFSA-N |
| Complexity | 212 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 249-861-6 |
| Exact Mass | 282.292265831g/mol |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 282.292265831g/mol |
| Rotatable Bond Count | 14 |
| Target Pest | Lymantria dispar (gypsy moth), |
| Topological Polar Surface Area | 12.5Ų |
| UNII | E5FWS893X3 |
| X Log P3 | 8.2 |
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