HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
Identifiers & Physical Properties
| CAS No. | 67923-53-9 |
|---|---|
| Molecular formula | C13H22O |
| Average molar mass | 194.31 g/mol |
| Monoisotopic mass | 194.16706532 g/mol |
| SMILES | CC1=CC(C)C(C=CC(C)O)C(C)C1 |
| InChIKey | WQTLBWPUJXRBIN-UHFFFAOYSA-N |
| PubChem CID | 106967 |
| EC No. | 267-768-9 |
| DTXSID | DTXSID10887041 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 240 |