3-Heptadecene, (Z)-
PubChem CID: 5352250
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| Compound Synonyms | 3-Heptadecene, (Z)-, 3-Heptadecene, heptadec-3-ene, (E)-3-Heptadecene, (3E)-3-Heptadecene #, EINECS 268-930-1, trans-3-Heptadecene, (3E)-3-Heptadecene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-heptadec-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 8.5 |
| Molecular Formula | C17H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YICJXYRVTBRLKS-FNORWQNLSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -6.974 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.94 |
| Compound Name | 3-Heptadecene, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 238.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.8091458 |
| Inchi | InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-17H2,1-2H3/b7-5+ |
| Smiles | CCCCCCCCCCCCC/C=C/CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cirsium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients