Allyl 3,5,5-trimethylhexanoate
prop-2-enyl 3,5,5-trimethylhexanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.3 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 71500-37-3 |
|---|---|
| SMILES | CC(CC(=O)OCC=C)CC(C)(C)C |
| InChIKey | NSXNWIWVNIJLHK-UHFFFAOYSA-N |
📖 Product Overview
Allyl 3,5,5-trimethylhexanoate (CAS: 71500-37-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.3 g/mol. Its IUPAC systematic name is prop-2-enyl 3,5,5-trimethylhexanoate.
NSXNWIWVNIJLHK-UHFFFAOYSA-N.
SMILES: CC(CC(=O)OCC=C)CC(C)(C)C.
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📚 Academic Support
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