2-Ethylhexanal
Representations & DB's id
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| ChEBI: | CHEBI:87809 | |
|---|---|---|
| ChEMBL: | CHEMBL1558074 | |
| PubChem: | 31241 | |
| IUPAC: | 2-ethylhexanal | |
| Standard InChI: | InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3 | |
| Standard InChI Key: | LGYNIFWIKSEESD-UHFFFAOYSA-N | |
| SMILES: | CCCCC(C=O)CC | |
Molecular propeties
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| AlogP: | 2.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 128.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |