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
-1.5383 0.1742 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3476 -0.0008 0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8227 -0.5671 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9334 0.1316 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 1.0295 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4130 0.3935 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7925 -0.7812 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1058 0.9875 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6488 -0.6442 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7962 -1.5323 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9583 1.0937 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7854 -0.2845 -0.3652 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