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
-1.5252 0.5161 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4615 -0.4388 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.3578 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9338 -0.0221 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0509 1.5019 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3047 0.6141 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 0.1506 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8134 -1.4791 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2360 -0.1396 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8204 -0.5681 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9860 0.2028 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8123 0.0199 0.4719 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