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
-1.5943 0.0189 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 0.6107 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8403 0.0032 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 -0.6292 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5243 -0.7927 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 0.7835 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 -0.4404 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 1.6963 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0432 0.4427 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7991 0.0796 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6553 -1.0742 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8900 -0.6983 -1.1073 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