| Molecular Formula | C9H16O2 |
| Canonicalized Compound | 1 |
| Compound Complexity | 122 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Allowed IUPAC Name | 4-propoxycyclohexanone |
| CAS-like Style IUPAC Name | 4-propoxy-1-cyclohexanone |
| Markup IUPAC Name | 4-propoxycyclohexan-1-one |
| Preferred IUPAC Name | 4-propoxycyclohexan-1-one |
| Systematic IUPAC Name | 4-propoxycyclohexan-1-one |
| Traditional IUPAC Name | 4-propoxycyclohexanone |
| Standard InChI | InChI=1S/C9H16O2/c1-2-7-11-9-5-3-8(10)4-6-9/h9H,2-7H2,1H3 |
| Standard InChIKey | XHLFNRDYLLAEEV-UHFFFAOYSA-N |
| XLogP3-AA Log P | 1.2 |
| Exact Mass | 156.115029749 |
| Molecular Weight | 156.22 |
| Canonical SMILES | CCCOC1CCC(=O)CC1 |
| Isomeric SMILES | CCCOC1CCC(=O)CC1 |
| Polar Surface Area Topological | 26.3 |
| MonoIsotopic Weight | 156.115029749 |
| Class | Specialty Materials |
