5-Hexyl-3-methyl-2-furannonanoic acid
Basic information
- CAS
116627-34-0- Standard SMILES
CCCCCCc1cc(C)c(CCCCCCCCC(=O)O)o1- InChIKey
OTRCWDPJPDAFGR-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 5-Hexyl-3-methyl-2-furannonanoic acid
- IUPAC
- 9-(5-hexyl-3-methylfuran-2-yl)nonanoic acid
Names & synonyms
5-Hexyl-3-methyl-2-furannonanoic acidDTXSID0012864499-(5-Hexyl-3-methylfuran-2-yl)nonanoic acid116627-34-0
Database identifiers
- CAS
116627-34-0、116627-38-4- PubChem CID
- 85564624
- DTXSID
DTXSID001286449
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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