Heptadec-8-ene
PubChem CID: 520230
Connections displayed (default: 10).
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| Compound Synonyms | heptadec-8-ene, 8-heptadecane, 9-heptadecene, BIQKRILZMDQPHI-UHFFFAOYSA-N, NS00010744 |
|---|---|
| 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 | heptadec-8-ene |
| Prediction Hob | 1.0 |
| Xlogp | 8.5 |
| Molecular Formula | C17H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIQKRILZMDQPHI-UHFFFAOYSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -1.837 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.438 |
| Compound Name | Heptadec-8-ene |
| 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/h15,17H,3-14,16H2,1-2H3 |
| Smiles | CCCCCCCCC=CCCCCCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients