Molecule ID: 8904

IUPAC Name: decyl hydrogen sulfate

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

SMILES: CCCCCCCCCCOS(=O)(=O)O

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

InChI: InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 3.7