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 0.0669 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3652 0.5353 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -0.5067 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 -0.2691 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 -1.0149 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5036 0.1403 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 0.6248 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 0.8280 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0706 1.4268 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4476 -1.4600 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -1.0393 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2119 0.6679 -0.6807 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