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
-1.5405 -0.0315 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3882 -0.0525 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8185 0.5087 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9205 -0.1986 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4670 0.2916 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7382 -1.0670 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 0.6055 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1642 -1.1114 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6092 0.4819 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 1.5289 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 0.2514 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0096 -1.2070 -0.1687 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