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
-1.5836 0.2529 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 -0.6378 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8232 -0.0037 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9117 0.2915 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1818 -0.0213 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1929 0.2307 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2115 1.2912 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5595 -1.5696 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1099 -0.8643 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7168 0.1877 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 0.0997 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7266 0.7431 0.3668 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