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
-1.5814 -0.1894 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3675 0.0186 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8930 -0.3928 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8747 0.4757 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.2018 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3583 0.6057 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 -0.0943 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4410 -0.5875 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3289 1.0876 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0545 -1.4101 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8027 0.1962 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7458 1.4920 -0.0891 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