Basic information
- CAS
116627-35-1- Standard SMILES
CCCCCCc1oc(CCCCCCCCCCC(=O)O)c(C)c1C- InChIKey
UHQMDJOPIFKPHL-UHFFFAOYSA-N- Molecular formula
- C23H40O3
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.29774513
Names & identifiers
- Preferred name
- 5-Hexyl-3,4-dimethyl-2-furanundecanoic acid
- IUPAC
- 11-(5-hexyl-3,4-dimethylfuran-2-yl)undecanoic acid
Names & synonyms
5-Hexyl-3,4-dimethyl-2-furanundecanoic acidDTXSID60126049711-(5-Hexyl-3,4-dimethylfuran-2-yl)undecanoic acid116627-38-4
Database identifiers
- CAS
116627-35-1、116627-38-4- PubChem CID
- 85564635
- DTXSID
DTXSID601260497
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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