4-(2,2-Dimethyl-5-oxotetrahydrofuran-3-yl)butanoic acid
Basic information
- CAS
6266-61-1- Standard SMILES
CC1(C)OC(=O)CC1CCCC(=O)O- InChIKey
FVWCTLKSICLGOZ-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 4-(2,2-Dimethyl-5-oxotetrahydrofuran-3-yl)butanoic acid
- IUPAC
- 4-(2,2-dimethyl-5-oxooxolan-3-yl)butanoic acid
Names & synonyms
4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)butanoic acid6266-61-14-(2,2-dimethyl-5-oxooxolan-3-yl)butanoic acidNSC36848DTXSID80284346Heptanedioic acid, .gamma.-lactoneNSC-368483-Furanbutanoic acid,2-dimethyl-5-oxo-
Database identifiers
- CAS
6266-61-1- PubChem CID
- 235459
- DTXSID
DTXSID80284346
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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