Molecule ID: 161542

IUPAC Name: 7-methyloctyl hydrogen sulfate

Description: The molecule is an alkyl sulfate that is 7-methyloctyl ester of sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is a conjugate acid of a 7-methyloctyl sulfate.

SMILES: CC(C)CCCCCCOS(=O)(=O)O

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

InChI: InChI=1S/C9H20O4S/c1-9(2)7-5-3-4-6-8-13-14(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 2.8