| Molecular Formula | C14H20O2 |
| Compound Complexity | 183 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Canonicalized Compound | 1 |
| Allowed IUPAC Name | 2-phenylethyl hexanoate |
| CAS-like Style IUPAC Name | hexanoic acid 2-phenylethyl ester |
| Markup IUPAC Name | 2-phenylethyl hexanoate |
| Preferred IUPAC Name | 2-phenylethyl hexanoate |
| Systematic IUPAC Name | 2-phenylethyl hexanoate |
| Traditional IUPAC Name | hexanoic acid phenethyl ester |
| Standard InChI | InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| Standard InChIKey | BUYNWUMUDHPPDS-UHFFFAOYSA-N |
| Exact Mass | 220.146329876 |
| Molecular Weight | 220.31 |
| Canonical SMILES | CCCCCC(=O)OCCC1=CC=CC=C1 |
| Isomeric SMILES | CCCCCC(=O)OCCC1=CC=CC=C1 |
| Polar Surface Area Topological | 26.3 |
| MonoIsotopic Weight | 220.146329876 |
| XLogP3 Log P | 4.2 |
| Chemical Structure |  |
| Class | Specialty Materials |
