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
-1.5923 -0.0278 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2456 0.5584 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7852 0.0157 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8863 -0.5871 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0180 -0.3018 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2957 0.7285 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6393 -0.9391 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1037 0.4333 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2804 1.6657 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6258 0.1197 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0775 -0.7084 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5927 -0.9571 -0.9118 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