Monomers
1-Butene
Identifiers
IUPAC name
but-1-ene
InchI
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
InchI Key
VXNZUUAINFGPBY-UHFFFAOYSA-N
SMILES
CCC=C
Canonical SMILES
CCC=C
Isomeric SMILES
CCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H8
Heavy Atom Count
4
Molecular Weight
56.108
Exact Molecular Weight
56.0626
Valence Electrons
24
Radical Electrons
0
tPSA
0.0
MolLogP
1.5824
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
12 11 0 0 0 0 0 0 0 0999 V2000
-1.5793 -0.2330 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 -0.3031 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7207 0.6325 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8001 0.1932 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1306 -1.1059 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 0.7368 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4559 -0.2552 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 -1.3465 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -0.0292 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 1.6925 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0212 -0.8577 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4570 0.8757 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
1 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers