Molecule ID: 442422

IUPAC Name: (1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carbaldehyde

Description: The molecule is a dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids. It has a role as an animal metabolite, a plant metabolite and a volatile oil component. It is a dialdehyde, an olefinic compound and an iridoid monoterpenoid.

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

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

InChI: InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.5