2-Undecene, 9-methyl-, (E)-
PubChem CID: 5366154
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| Compound Synonyms | 2-Undecene, 9-methyl-, (E)-, (2E)-9-Methyl-2-undecene #, KPHXWWCESYQGHX-GQCTYLIASA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-9-methylundec-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C12H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPHXWWCESYQGHX-GQCTYLIASA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.494 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.83 |
| Compound Name | 2-Undecene, 9-methyl-, (E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9496087999999996 |
| Inchi | InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h4,6,12H,5,7-11H2,1-3H3/b6-4+ |
| Smiles | CCC(C)CCCCC/C=C/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients