Molecule ID: 8885

IUPAC Name: octyl hydrogen sulfate

Description: The molecule is an alkyl sulfate that is the sulfuric ester of octan-1-ol. It has a role as a Daphnia pulex metabolite and a kairomone. It derives from an octan-1-ol. It is a conjugate acid of a n-octyl sulfate.

SMILES: CCCCCCCCOS(=O)(=O)O

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

InChI: InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 2.6