11-(Butylsulfonyl)undecanoic acid
Basic information
- CAS
4466-25-5- Standard SMILES
CCCCS(=O)(=O)CCCCCCCCCCC(=O)O- InChIKey
FGKIKHQZLAKXAG-UHFFFAOYSA-N- Molecular formula
- C15H30O4S
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.18648061
Names & identifiers
- Preferred name
- 11-(Butylsulfonyl)undecanoic acid
- IUPAC
- 11-butylsulfonylundecanoic acid
Names & synonyms
4466-25-511-(butylsulfonyl)undecanoic acidNSC23325DTXSID80281875NSC-2332511-(BUTANE-1-SULFONYL)UNDECANOIC ACID
Database identifiers
- CAS
4466-25-5- PubChem CID
- 229558
- DTXSID
DTXSID80281875
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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