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
-1.5464 -0.2755 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 0.4348 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 -0.3684 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 0.1146 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4468 -1.3503 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6352 0.1224 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4921 0.0308 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6676 0.6658 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 1.3839 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 -1.3453 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8185 -0.4737 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9723 1.0607 -0.7578 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