p-(1,1-Dimethyldecyl)benzenesulfonic acid
Basic information
- CAS
24271-16-7- Standard SMILES
CCCCCCCCCC(C)(C)c1ccc(S(=O)(=O)O)cc1- InChIKey
ZJGVLZVSSCYXFU-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156599
Names & identifiers
- Preferred name
- p-(1,1-Dimethyldecyl)benzenesulfonic acid
- IUPAC
- 4-(2-methylundecan-2-yl)benzenesulfonic acid
Names & synonyms
p-(1,1-Dimethyldecyl)benzenesulfonic acid24271-16-74-(2-Methylundecan-2-yl)benzene-1-sulfonic acidDTXSID20947105
Database identifiers
- CAS
24271-16-7- PubChem CID
- 44155019
- DTXSID
DTXSID20947105- Nikkaji
- J1.611.115E
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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