Basic information
- CAS
116627-40-8- Standard SMILES
CCCCCCCc1cc(C)c(CCCCC(=O)O)o1- InChIKey
DRMAOLDHZDXOST-UHFFFAOYSA-N- Molecular formula
- C17H28O3
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.20384475
Names & identifiers
- Preferred name
- 5-Heptyl-3-methyl-2-furanpentanoic acid
- IUPAC
- 5-(5-heptyl-3-methylfuran-2-yl)pentanoic acid
Names & synonyms
5-Heptyl-3-methyl-2-furanpentanoic acid5-(3-methyl-5-heptylfuran-2-yl)-pentanoic acid5-(5-heptyl-3-methylfuran-2-yl)-pentanoic acidDTXSID701280509LMFA011500323 methyl-5-heptyl-2-furanpentanoic acid5M7; 3 methyl-5-heptyl-2-furanpentanoic acid5-(5-Heptyl-3-methylfuran-2-yl)pentanoic acid116643-35-7
Database identifiers
- CAS
116627-40-8、116643-35-7- PubChem CID
- 85565030
- DTXSID
DTXSID701280509
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Heterocyclic fatty acids [FA0115]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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