2,2,5,6,6-Pentamethylhept-4-en-3-one
2,2,5,6,6-pentamethylhept-4-en-3-one
Also Known As: 2,2,5,6,6-pentamethylhept-4-en-3-one|2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE|2,2,5,6,6-pentamethyl-4-hepten-3-one
CAS: 3205-31-0
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.16707 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.16707 |
| Monoisotopic Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 3205-31-0 |
|---|---|
| SMILES | CC(=CC(=O)C(C)(C)C)C(C)(C)C |
| InChIKey | JDSKGLJSYUSELX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (5 patents)
Heterocyclic Building Blocks (4 patents)
Organic Building Blocks (1 patents)
Peptides & Amino Acids (2 patents)
Pharmaceutical Intermediates (7 patents)
Product Overview
2,2,5,6,6-Pentamethylhept-4-en-3-one (CAS 3205-31-0), with molecular formula C12H22O and molecular weight 182.16707 g/mol. IUPAC: 2,2,5,6,6-pentamethylhept-4-en-3-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.
View MSDS →
2,2,5,6,6-Pentamethylhept-4-en-3-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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