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
1.2400 0.4094 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4172 -0.8474 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0200 -0.5414 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 0.6900 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3306 0.9698 -0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8736 1.0350 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 0.0645 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8162 -1.3874 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5673 -1.5239 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 -1.3575 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7949 1.5313 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5123 0.9576 -0.4588 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