Molecule ID: 24796510

IUPAC Name: [(E,3S)-3-methyldec-4-enyl] hydrogen sulfate

Description: The molecule is a sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-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 (3S,4E)-3-methyldec-4-en-1-yl sulfate.

SMILES: CCCCC/C=C/[C@@H](C)CCOS(=O)(=O)O

SELFIES: [C][C][C][C][C][/C][=C][/C@@H1][Branch1][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C11H22O4S/c1-3-4-5-6-7-8-11(2)9-10-15-16(12,13)14/h7-8,11H,3-6,9-10H2,1-2H3,(H,12,13,14)/b8-7+/t11-/m1/s1

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 3.2