4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
4-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: 2-Hydroxy-5,7-megastigmadien-9-one|ent-3beta-Hydroxykaur-16-en-19-oic acid|4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one|3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
CAS: 69050-59-5
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.14633 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Monoisotopic Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 69050-59-5 |
|---|---|
| SMILES | CC1=C(C(C(CC1)O)(C)C)C=CC(=O)C |
| InChIKey | LXYKLYXWNYMBKQ-UHFFFAOYSA-N |
Product Overview
4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS 69050-59-5), with molecular formula C13H20O2 and molecular weight 208.14633 g/mol. IUPAC: 4-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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