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
-1.5659 -0.0204 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 0.4236 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8028 -0.4901 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9355 -0.0257 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2699 -0.5586 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2158 0.8373 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1081 -0.7637 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6039 0.3708 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0684 1.4682 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6921 -1.5420 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -0.7244 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0162 1.0252 0.4994 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