Molecule ID: 6557

IUPAC Name: 2-methylbuta-1,3-diene

Description: The molecule is a hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. It has a role as a plant metabolite. It is an alkadiene, a hemiterpene and a volatile organic compound.

SMILES: C=CC(=C)C

SELFIES: [C][=C][C][=Branch1][C][=C][C]

InChI: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 2.5