Monomers
1,3-Butadiene
Identifiers
IUPAC name
buta-1,3-diene
InchI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InchI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
SMILES
C=CC=C
Canonical SMILES
C=CC=C
Isomeric SMILES
C=CC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6
Heavy Atom Count
4
Molecular Weight
54.092
Exact Molecular Weight
54.047
Valence Electrons
22
Radical Electrons
0
tPSA
0.0
MolLogP
1.3584
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-1.7151 0.4570 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 -0.2246 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6212 0.2160 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -0.4636 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 1.3294 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 0.1528 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6759 -1.0914 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 1.1135 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6935 -1.3380 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6429 -0.1511 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
1 5 1 0
1 6 1 0
2 7 1 0
3 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers