Basic information
- CAS
116627-40-8- Standard SMILES
CCCCCCCc1cc(C)c(CCCCCCCCCCC(=O)O)o1- InChIKey
WMDBZHQNOGUFIY-UHFFFAOYSA-N- Molecular formula
- C23H40O3
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.29774513
Names & identifiers
- Preferred name
- 5-Heptyl-3-methyl-2-furanundecanoic acid
- IUPAC
- 11-(5-heptyl-3-methylfuran-2-yl)undecanoic acid
Names & synonyms
5-Heptyl-3-methyl-2-furanundecanoic acidDTXSID30127510611-(5-Heptyl-3-methylfuran-2-yl)undecanoic acid116627-40-8
Database identifiers
- CAS
116627-40-8、116627-50-0- PubChem CID
- 85564643
- DTXSID
DTXSID301275106
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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