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
-1.5532 -0.2076 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 0.7112 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8218 -0.1837 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 -0.2480 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 0.3330 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 -0.8407 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4927 -0.9095 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 1.4345 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2284 1.2293 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8049 -0.7719 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8051 0.3648 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 -0.9114 0.2573 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