9-Pentacosene
PubChem CID: 6430704
Connections displayed (default: 10).
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| Compound Synonyms | 9-pentacosene, 69188-47-2, (E)-pentacos-9-ene, DTXSID80897091, DTXCID101326652, LMFA11000564 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-pentacos-9-ene |
| Prediction Hob | 0.0 |
| Xlogp | 12.8 |
| Molecular Formula | C25H50 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJTCMKZGFBOKQS-HTXNQAPBSA-N |
| Fcsp3 | 0.92 |
| Logs | -7.49 |
| Rotatable Bond Count | 21.0 |
| Logd | 5.463 |
| Compound Name | 9-Pentacosene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 350.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.704785000000001 |
| Inchi | InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-25H2,1-2H3/b19-17+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/CCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bischofia Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Olympicum (Plant) Rel Props:Source_db:npass_chem_all