3,4-Dimethyl-5-propyl-2-furanheptanoic acid
Basic information
- CAS
116627-44-2- Standard SMILES
CCCc1oc(CCCCCCC(=O)O)c(C)c1C- InChIKey
LFPMPYMHIRJRDE-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.18819469
Overview
3,4-Dimethyl-5-propyl-2-furanheptanoic acid is a heterocyclic fatty acid.
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-propyl-2-furanheptanoic acid
- IUPAC
- 7-(3,4-dimethyl-5-propylfuran-2-yl)heptanoic acid
Names & synonyms
3,4-Dimethyl-5-propyl-2-furanheptanoic acidCHEBI:230974DTXSID9012613497-(3,4-Dimethyl-5-propylfuran-2-yl)heptanoic acid7-(3,4-dimethyl-5-propyluran-2-yl)heptanoic acid116627-44-2
Database identifiers
- CAS
116627-44-2、116627-48-6- PubChem CID
- 85564655
- DTXSID
DTXSID901261349- ChEBI
CHEBI:230974
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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