Molecule ID: 65108

IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione

Description: The molecule is a cyclic ketone and diether that is a dibutyl ether derivative of squaric acid. It has a role as an immunological adjuvant and an allergen. It is a cyclic ketone and a diether. It derives from a squaric acid.

SMILES: CCCCOc1c(OCCCC)c(=O)c1=O

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

InChI: InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.4