4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Basic information
- CAS
66465-74-5- Standard SMILES
CC(=O)C=CC1=C(C)CCC(O)C1(C)C- InChIKey
LXYKLYXWNYMBKQ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- IUPAC
- 4-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Names & synonyms
66465-74-5DTXSID603372284-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-oneAKOS032961863
Database identifiers
- CAS
66465-74-5- PubChem CID
- 540317
- DTXSID
DTXSID60337228
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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