Basic information
- CAS
116627-50-0- Standard SMILES
CCCCCCCc1oc(CCCCCCC(=O)O)c(C)c1C- InChIKey
ORKHLNOFYHAZPY-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 5-Heptyl-3,4-dimethyl-2-furanheptanoic acid
- IUPAC
- 7-(5-heptyl-3,4-dimethylfuran-2-yl)heptanoic acid
Names & synonyms
5-Heptyl-3,4-dimethyl-2-furanheptanoic acidDTXSID9012642867-(5-Heptyl-3,4-dimethylfuran-2-yl)heptanoic acid116627-50-0
Database identifiers
- CAS
116627-50-0、116643-35-7- PubChem CID
- 85564675
- DTXSID
DTXSID901264286
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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