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
-1.5507 0.1849 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -0.6624 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8276 0.2673 -0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8953 0.1772 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 0.0616 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9800 -0.0730 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2927 1.2724 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1252 -1.3949 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4867 -1.1366 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 1.0291 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7069 0.8533 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -0.5789 1.1273 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