Molecule ID: 31364

IUPAC Name: 2-ethylhexyl hydrogen sulfate

Description: The molecule is an alkyl sulfate that is the mono(2-ethylhexyl) ester of sulfuric acid. It has a role as a surfactant and a carcinogenic agent. It derives from a 2-ethylhexan-1-ol. It is a conjugate acid of a 2-ethylhexyl sulfate(1-).

SMILES: CCCCC(CC)COS(=O)(=O)O

SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 2.3