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
-1.5273 -0.0502 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 0.3466 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7811 -0.4206 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9151 0.1219 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0511 -0.3093 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 0.7127 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9512 -1.0192 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7353 0.0027 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2787 1.4194 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7098 -1.5003 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7662 -0.4980 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0913 1.1943 -0.2298 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