Basic information
- CAS
116627-39-5- Standard SMILES
CCCCCc1oc(CCCCCCCCCCCC(=O)O)c(C)c1C- InChIKey
HGEOLCAWDKVRFU-UHFFFAOYSA-N- Molecular formula
- C23H40O3
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.29774513
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-pentyl-2-furandodecanoic acid
- IUPAC
- 12-(3,4-dimethyl-5-pentylfuran-2-yl)dodecanoic acid
Names & synonyms
3,4-Dimethyl-5-pentyl-2-furandodecanoic acidDTXSID00125896112-(3,4-Dimethyl-5-pentylfuran-2-yl)dodecanoic acid116627-39-5
Database identifiers
- CAS
116627-39-5、180346-58-1- PubChem CID
- 85564640
- DTXSID
DTXSID001258961
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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