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
1.5734 0.0045 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2140 -0.6345 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 0.1071 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8259 0.5902 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3507 -0.7881 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6872 0.5208 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6652 0.7209 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -1.6540 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2209 -0.7088 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5114 0.2711 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0416 0.4382 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5159 1.1327 -0.7817 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