| Catalog Number | ACM65885350 |
| CAS | 65885-35-0 |
| IUPAC Name | 4-heptoxybutanal |
| Synonyms | 4-(Heptyloxy)butanal;4-(n-heptyloxy)butanal;4-heptoxybutanal;SCHEMBL1301661;65885-35-0 |
| Molecular Weight | 186.29g/mol |
| Molecular Formula | C11H22O2 |
| Canonical SMILES | CCCCCCCOCCCC=O |
| InChI | InChI=1S/C11H22O2/c1-2-3-4-5-7-10-13-11-8-6-9-12/h9H,2-8,10-11H2,1H3 |
| InChI Key | DSRCWNTVYUKWCH-UHFFFAOYSA-N |
| Complexity | 102 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 186.161979940g/mol |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 186.161979940g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 26.3Ų |
| X Log P3 | 2.7 |