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
-1.5375 0.1872 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4146 -0.3072 0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8100 -0.3677 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 0.3281 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.4998 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5119 0.1776 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2212 1.1772 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7235 -1.3143 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2588 0.4053 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 -1.0132 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 0.2584 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9195 0.9684 0.8630 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