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
1.1575 -0.6106 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5785 0.7004 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8898 0.6979 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6216 -0.3795 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2397 -0.4226 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1852 -1.3491 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -1.0791 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 0.9663 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 1.4792 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.6475 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1097 -1.2796 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6889 -0.3706 0.4333 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