Basic information
- Standard SMILES
C=C1C=CC[C@@H](C)[C@@]1(C)CCC1=CC(O)OC1=O- InChIKey
DNVMNEBSCNECGO-ZHOBSPGKSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Hydroxy butenolide
- IUPAC
- 4-[2-[(1R,6R)-1,6-dimethyl-2-methylidenecyclohex-3-en-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
Names & synonyms
hydroxy butenolideCHEMBL511263DNVMNEBSCNECGO-ZHOBSPGKSA-NBDBM50479040
Database identifiers
- PubChem CID
- 21773091
- ChEMBL
CHEMBL511263- Nikkaji
- J2.635.713F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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