9-Hexadecenal, (9Z)-
PubChem CID: 5364643
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-Hexadec-9-enal, (Z)-9-Hexadecenal, 56219-04-6, cis-9-Hexadecenal, 9-Hexadecenal, (9Z)-, 9Z-Hexadecenal, Z-9-HEXADECENAL, (9Z)-9-Hexadecenal, 9-Hexadecenal, (Z)-, NXO9ML6I2E, EINECS 260-064-2, HEXADECENAL, (Z)-9-, DTXSID5041194, Palmitolealdehyde, UNII-NXO9ML6I2E, CIS-9-HEXADECENAL, 95, (9Z)-9-Hexadecenal #, SCHEMBL556941, (9Z)-HEXADEC-9-ENAL, DTXCID3021194, CHEBI:179683, 9Z-HEXADECEN/AL , 95 %, LMFA06000217, 9Z-Hexadecenal CAS 56219-04-6, FH23782, NS00022384, Q27285093, Palmitolealdehyde, (9Z)-9-Hexadecenal, cis-9-Hexadecenal, 260-064-2, 81K, 9-Hexadecenal, (Z)-, Palmitolealdehyde (6CI), (9Z)-9-Hexadecenal, (Z)-9-Hexadecenal, cis-9-Hexadecenal |
|---|---|
| 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 | (Z)-hexadec-9-enal |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C16H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFPVVMKZTVQDTL-FPLPWBNLSA-N |
| Fcsp3 | 0.8125 |
| Logs | -3.793 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.094 |
| Compound Name | 9-Hexadecenal, (9Z)- |
| 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 | 4.0 |
| 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 - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients