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
-1.5877 -0.0008 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2833 -0.4178 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 0.5330 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9069 0.1285 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 0.4960 -1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2039 0.6395 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1813 -0.9261 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4798 -0.5014 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0151 -1.4174 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 1.5743 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0137 -0.9073 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6993 0.7994 -0.6461 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