Molecule ID: 8064

IUPAC Name: butane-1,4-diol

Description: The molecule is a butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16鈩? with a high boiling point (230鈩?, it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF). It has a role as a neurotoxin, a protic solvent and a prodrug. It is a butanediol and a glycol.

SMILES: OCCCCO

SELFIES: [O][C][C][C][C][O]

InChI: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: -0.8