Molecule ID: 24796648

IUPAC Name: [(Z)-9-methyldec-3-enyl] hydrogen sulfate

Description: The molecule is a sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3Z)-9-methyldec-3-en-1-yl sulfate.

SMILES: CC(C)CCCC/C=C\CCOS(=O)(=O)O

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

InChI: InChI=1S/C11H22O4S/c1-11(2)9-7-5-3-4-6-8-10-15-16(12,13)14/h4,6,11H,3,5,7-10H2,1-2H3,(H,12,13,14)/b6-4-

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 3.3