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
-1.5669 0.1559 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3672 -0.6622 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.3049 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.1765 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2661 1.1645 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0715 -0.3652 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2137 0.3322 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 -1.4235 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5236 -1.0888 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6949 1.1246 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6806 0.8884 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0400 -0.6073 -1.0283 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