4-Ethyl-1-(3-ethylpentyl)-1-octyl sulfate
Basic information
- CAS
141-71-9- Standard SMILES
CCCCC(CC)CCC(CCC(CC)CC)OS(=O)(=O)O- InChIKey
MSYSDQBIFATOQW-UHFFFAOYSA-N- Molecular formula
- C17H36O4S
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2334308
Names & identifiers
- Preferred name
- 4-Ethyl-1-(3-ethylpentyl)-1-octyl sulfate
- IUPAC
- 3,9-diethyltridecan-6-yl hydrogen sulfate
Names & synonyms
4-Ethyl-1-(3-ethylpentyl)-1-octyl sulfateUNII-24WR5Z3L9U24WR5Z3L9U3,9-Diethyl-6-tridecyl hydrogen sulfate6-Tridecanol, 3,9-diethyl-, hydrogen sulfate6-Tridecanol, 3,9-diethyl-, 6-(hydrogen sulfate)RefChem:198667141-71-9SCHEMBL3356203,9-diethyl-6-tridecanol sulfateNS00095004Q27253882
Database identifiers
- CAS
141-71-9- PubChem CID
- 11348297
- UNII
- 24WR5Z3L9U
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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