Molecule ID: 10933608

IUPAC Name: methyl 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetate

Description: The molecule is a methyl ester derived from tuberonic acid. It has a role as a plant metabolite. It is a methyl ester, a member of cyclopentanones, a primary alcohol and a homoallylic alcohol. It derives from a tuberonic acid.

SMILES: COC(=O)C[C@H]1CCC(=O)[C@H]1C/C=C\CCO

SELFIES: [C][O][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][C][/C][=C][\C][C][O]

InChI: InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3/b3-2-/t10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 0.7