Identifiers & Physical Properties
| CAS No. | 14224-80-7 |
|---|
| Molecular formula | C15H24O |
|---|
| Average molar mass | 220.35 g/mol |
|---|
| Monoisotopic mass | 220.18271539 g/mol |
|---|
| SMILES | O=C1CCC#CCCCCCCCCCC1 |
|---|
| InChIKey | LAUIIEUKTSCRDN-UHFFFAOYSA-N |
|---|
| PubChem CID | 12377464 |
|---|
| EC No. | 604-281-6 |
|---|
| DTXSID | DTXSID501318885 |
|---|
Chemical & Physical Properties
| XLogP | 4.8 |
|---|
| Topological polar surface area | 17.1 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 16 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 253 |
|---|
Safety & Regulations
| GHS classification | Not Classified |
|---|
| Regulatory information | REACH registered substance: Cyclopentadec-4-yn-1-one (EC: 604-281-6) |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
