Molecule ID: 6366484

IUPAC Name: 2-butyloctyl hydrogen sulfate

Description: The molecule is an alkyl sulfate that is the mono(2-butyloctyl) ester of sulfuric acid. It has a role as a surfactant. It derives from a 2-butyl-1-octanol. It is a conjugate acid of a 2-butyloctyl sulfate.

SMILES: CCCCCCC(CCCC)COS(=O)(=O)O

SELFIES: [C][C][C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H26O4S/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H,13,14,15)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 4.5