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
-1.5536 -0.0003 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3564 0.0898 0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8488 -0.5098 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9278 0.2173 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4269 0.3794 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7132 -1.0553 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 0.6347 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 -0.4220 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 1.1539 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 -1.5468 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8173 -0.2121 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 1.2712 0.2056 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