9-Heneicosene
PubChem CID: 6115850
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| Compound Synonyms | 9-Heneicosene, cis-9-Heneicosene, 39836-21-0, LMFA11000547, AKOS015913503 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-henicos-9-ene |
| Prediction Hob | 0.0 |
| Xlogp | 10.7 |
| Molecular Formula | C21H42 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVBODECJSYHQIE-HTXNQAPBSA-N |
| Fcsp3 | 0.9047619047619048 |
| Logs | -7.195 |
| Rotatable Bond Count | 17.0 |
| Logd | 5.257 |
| Compound Name | 9-Heneicosene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.329 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 294.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.2601154 |
| Inchi | InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-21H2,1-2H3/b19-17+ |
| Smiles | CCCCCCCCCCC/C=C/CCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients