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
1.5394 0.2925 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3735 -0.1817 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -0.5132 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9303 0.1238 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7931 -0.4633 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3939 0.4258 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2565 1.2563 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1462 0.6409 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -1.0523 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6740 -1.2859 -1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 -0.1367 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 0.8937 0.6250 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