1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
Basic information
- CAS
308818-10-2- Standard SMILES
CCCCCCCCCCCC1(C)OCC(OCCCCS(=O)(=O)O)CO1- InChIKey
DLWKDTARITUBJA-UHFFFAOYSA-N- Molecular formula
- C20H40O6S
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.25456017
Names & identifiers
- Preferred name
- 1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
- IUPAC
- 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]butane-1-sulfonic acid
Names & synonyms
308818-10-21-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-SCHEMBL14282575DTXSID304309374-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]butane-1-sulfonic Acid
Database identifiers
- CAS
308818-10-2- PubChem CID
- 9801593
- DTXSID
DTXSID30430937
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…