Molecule ID: 24796509

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

Description: The molecule is an organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has a role as a Daphnia pulex metabolite and a kairomone. It is a conjugate base of a (3S,4E)-3-methyldec-4-en-1-yl hydrogen 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-1]

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)/p-1/b8-7+/t11-/m1/s1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 3.2