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
-1.2166 0.5724 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -0.5405 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9481 -0.6204 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 0.1835 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2595 0.6543 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 0.3288 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7101 1.5409 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4886 -0.2739 -1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 -1.5022 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 -1.3858 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5122 0.1002 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 0.9426 0.9909 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