Pentadecyl sulfuric acid
Basic information
- CAS
45247-34-5- Standard SMILES
CCCCCCCCCCCCCCCOS(=O)(=O)O- InChIKey
COUMKTRLCGRAAA-UHFFFAOYSA-N- Molecular formula
- C15H32O4S
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.20213067
Names & identifiers
- Preferred name
- Pentadecyl sulfuric acid
- IUPAC
- pentadecyl hydrogen sulfate
Names & synonyms
Pentadecyl sulfuric acid45247-34-5DTXSID00196452RefChem:367979DTXCID10118943pentadecyl hydrogen sulfateC15-Alkyl sulfatePentadecylschwefelsaureSCHEMBL456240C15-ASNS00014045
Database identifiers
- CAS
45247-34-5- PubChem CID
- 61596
- DTXSID
DTXSID00196452- Nikkaji
- J140.473C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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