cis-3-Octadecene
PubChem CID: 5352227
Connections displayed (default: 10).
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| Compound Synonyms | cis-3-Octadecene, (Z)-3-Octadecene, cis-octadec-3-ene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 9.0 |
| Molecular Formula | C18H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCKCCFAPMYQFLZ-ALCCZGGFSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -5.207 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.855 |
| Compound Name | cis-3-Octadecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.170313199999998 |
| Inchi | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5- |
| Smiles | CCCCCCCCCCCCCC/C=C\CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients