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
-1.5345 0.1717 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 0.5246 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8776 0.1196 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7142 -0.7679 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4317 -0.9292 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4441 0.6753 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4695 0.4076 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3590 -0.0820 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2234 1.6109 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 0.5595 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 -1.0713 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5736 -1.2188 1.1342 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