9-Hexadecenal
PubChem CID: 5283375
Connections displayed (default: 10).
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| Compound Synonyms | 9-hexadecenal, (E)-hexadec-9-enal, E-9-Hexadecenal, CIS-9-HEXADECENAL, 95, (e)-9-hexadecenal, LMFA06000091, (9E)-9-Hexadecenal, (9E)-9-Hexadecenal #, SCHEMBL336357, CHEBI:179687, QFPVVMKZTVQDTL-BQYQJAHWSA-N, AKOS015901509 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-9-enal |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C16H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFPVVMKZTVQDTL-BQYQJAHWSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.962 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.331 |
| Compound Name | 9-Hexadecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 238.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.567772999999999 |
| Inchi | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7+ |
| Smiles | CCCCCC/C=C/CCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients