2-Hexadecenal
PubChem CID: 5280541
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| Compound Synonyms | (E)-2-hexadecenal, 2-Hexadecenal, (2E)-hexadecenal, Hexadecenal, 22644-96-8, (E)-hexadec-2-enal, 3163-37-9, hexadec-2-enal, trans-2-Hexadecenal, 2-trans-Hexadecenal, trans-hexadec-2-enal, (2E)-hexadec-2-enal, 27104-14-9, Z79H35Z0RU, (2E)-2-Hexadecenal, UNII-Z79H35Z0RU, 2-hexadecenal, E, 2-(d5)-hexadecenal, 2-Hexadecenal, (E)-, 2-Hexadecenal, (2E)-, C06123, SCHEMBL1783148, CHEBI:17585, CHEBI:231423, DTXSID801015907, LMFA06000089, FH23781, (2E)-2-Hexadecenal, trans-2-Hexadecenal, 16:1 aldehyde, (2E)-hexadecenal, powder, DB-246804, 2-(15,15,16,16,16-d5)-hexadecenal, Q27102466 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CCCCCCCCCCCCC/C=C/C=O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O95470 |
| Iupac Name | (E)-hexadec-2-enal |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty aldehydes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O |
| Inchi Key | KLJFYXOVGVXZKT-CCEZHUSRSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | (2E)-Hexadecenal, 2-trans-Hexadecenal, (2E)-Hexadec-2-enal, 2-(D5)-Hexadecenal, 2-(15,15,16,16,16-D5)-Hexadecenal, 2-Hexadecenal, (e)-2-hexadecenal, hexadecenal |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C=O |
| Compound Name | 2-Hexadecenal |
| Kingdom | Organic compounds |
| Exact Mass | 238.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 238.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+ |
| Smiles | CCCCCCCCCCCCC/C=C/C=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643364 - 2. Outgoing r'ship
FOUND_INto/from Litsea Monopetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700802 - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698517 - 4. Outgoing r'ship
FOUND_INto/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1878