5-Hydroxy-3,4-dimethyl-5-octylfuran-2(5H)-one
Basic information
- CAS
6066-56-4- Standard SMILES
CCCCCCCCC1(O)OC(=O)C(C)=C1C- InChIKey
FOYAVCHSDXNQGI-UHFFFAOYSA-N- Molecular formula
- C14H24O3
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.17254462
Names & identifiers
- Preferred name
- 5-Hydroxy-3,4-dimethyl-5-octylfuran-2(5H)-one
- IUPAC
- 5-hydroxy-3,4-dimethyl-5-octylfuran-2-one
Names & synonyms
6066-56-4NSC3089215-Hydroxy-3,4-dimethyl-5-octylfuran-2(5H)-oneDTXSID70316923NSC-308921
Database identifiers
- CAS
6066-56-4- PubChem CID
- 328792
- DTXSID
DTXSID70316923
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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