Undecanoic acid, 11-(undecylthio)-
Basic information
- CAS
102885-86-9- Standard SMILES
CCCCCCCCCCCSCCCCCCCCCCC(=O)O- InChIKey
HVZFHYNFCRALKA-UHFFFAOYSA-N- Molecular formula
- C22H44O2S
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 372.30620182
Names & identifiers
- Preferred name
- Undecanoic acid, 11-(undecylthio)-
- IUPAC
- 11-undecylsulfanylundecanoic acid
Names & synonyms
Undecanoic acid, 11-(undecylthio)-102885-86-9NSC23332DTXSID30281880NSC-2333211-(UNDECYLSULFANYL)UNDECANOIC ACID
Database identifiers
- CAS
102885-86-9- PubChem CID
- 229565
- DTXSID
DTXSID30281880
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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