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
-1.5833 0.0819 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2740 0.2239 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8911 0.3361 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -0.5467 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8145 0.9510 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5978 -0.8841 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3829 0.0318 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 1.1166 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2220 -0.6509 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9499 1.1527 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 -0.4538 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7940 -1.3584 0.4540 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