Molecule ID: 442426

IUPAC Name: (1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde

Description: The molecule is an iridodial that is (1R,2R)-2-[(2R)-1-oxopropan-2-yl]cyclopentanecarbaldehyde substituted by a methyl group at position 2 (2S-stereoisomer). It has a role as a plant metabolite.

SMILES: C[C@@H](C=O)[C@H]1CC[C@H](C)[C@H]1C=O

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

InChI: InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.6