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
-1.5632 0.2810 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 -0.1935 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8004 -0.5101 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 0.1462 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4507 1.3646 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 -0.2378 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4639 0.1112 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1455 0.5711 1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 -1.1304 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7336 -1.2620 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8196 -0.0503 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9940 0.9099 0.6646 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