Basic information
- CAS
52518-11-3- Standard SMILES
COC1C=C(CCCCCCC(=O)O)C(=O)C1- InChIKey
QZCRXWLNVKNENY-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615912
Names & identifiers
- Preferred name
- 7-(3-Methoxy-5-oxocyclopent-1-EN-1-YL)heptanoic acid
- IUPAC
- 7-(3-methoxy-5-oxocyclopenten-1-yl)heptanoic acid
Names & synonyms
52518-11-3SCHEMBL11478391DTXSID50632976QZCRXWLNVKNENY-UHFFFAOYSA-N7-(3-METHOXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOIC ACID4-methoxy-2-(6-carboxyhexyl)cyclopent-2-en-1-one
Database identifiers
- CAS
52518-11-3- PubChem CID
- 23330004
- DTXSID
DTXSID50632976
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
3 records
Compound notes
Loading…