Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate
PubChem CID: 5367549
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| Compound Synonyms | 24198-95-6, Juvenate, trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester, (Rac)-Juvenile hormone III, methyl (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate, 5255-04-9, (2E,6E)-9-(3,3-Dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoic acid methyl ester, 2,6-Nonadienoic acid, 9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-, methyl ester, (2E,6E)-, 10,11-Epoxyfarnesenic acid methyl ester, EINECS 246-072-9, NSC-688246, SJH I, trans-trans-10,11-Epoxyfarnesenic acid methyl ester, MEGxp0_001814, CHEMBL1967398, Methyl farnesoate 10,11-epoxide, DTXSID601033769, HY-N7240, NSC688246, Methyl (2E,6E)-(1)-9-(3,3-dimethyloxiranyl)-3,7-dimethylnona-2,6-dienoate, FE22753, Methyl trans,trans-10,11-epoxyfarnesoate, DB-222691, CS-0108255, G85635, Methyl 10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate, Methyl 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-2,6-nonadienoate, methyl-(2e,6e)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate, 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester, 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester, (E,E)-, 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-, 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-(+-)-, 2,6-Nonadienoicacid,9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-,methylester,(2E,6E)-, Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate, Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate #, (2E,6E)- 9-(3,3-Dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoic acid methyl ester, (E,E)-(+/-)-10,11-Epoxy-3,7,11-trimethyl-2,6-dodec adienoic acid methyl ester, (E,E)-Methyl 3,7,11-trimethyl-10,11-epoxy-2,6-dodecadienoate, Juvenile Hormone III |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QVJMXSGZTCGLHZ-ZPLWXOMKSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.619 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.202 |
| Compound Name | Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4709621999999998 |
| Inchi | InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+ |
| Smiles | C/C(=C\CC/C(=C/C(=O)OC)/C)/CCC1C(O1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abies Balsamea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all