6,9-Heptadecadiene
PubChem CID: 5365698
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| Compound Synonyms | 6,9-Heptadecadiene, HEPTADECA-6,9-DIENE, (6E,9E)-6,9-Heptadecadiene #, LMFA11000472, 81265-03-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,9E)-heptadeca-6,9-diene |
| Prediction Hob | 1.0 |
| Xlogp | 7.8 |
| Molecular Formula | C17H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGMLTHHZJKHNLS-OJWGMWDRSA-N |
| Fcsp3 | 0.7647058823529411 |
| Logs | -6.532 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.255 |
| Compound Name | 6,9-Heptadecadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 236.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.4279465999999985 |
| Inchi | InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11+,17-16+ |
| Smiles | CCCCCCC/C=C/C/C=C/CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients