Molecule ID: 98497

IUPAC Name: 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde

Description: The molecule is an aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina. It has a role as a fragrance and a plant metabolite. It is a monocyclic compound and an alpha-CH2-containing aldehyde. It derives from an acetaldehyde. It derives from a hydride of a cyclopentene.

SMILES: CC1=CCC(CC=O)C1(C)C

SELFIES: [C][C][=C][C][C][Branch1][Ring2][C][C][=O][C][Ring1][Branch2][Branch1][C][C][C]

InChI: InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.9