16-Octadecenal
PubChem CID: 5367668
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| Compound Synonyms | 16-Octadecenal, 56554-87-1, (E)-octadec-16-enal, (16E)-16-Octadecenal # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-16-enal |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C18H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTQUVMLIINDJCS-NSCUHMNNSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -6.194 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.091 |
| Compound Name | 16-Octadecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.107407799999999 |
| Inchi | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-3,18H,4-17H2,1H3/b3-2+ |
| Smiles | C/C=C/CCCCCCCCCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients