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
-1.2145 0.0745 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 -0.5872 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9348 -0.2109 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 0.6354 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8406 -0.3415 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1363 1.1792 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2927 -0.1652 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5626 -1.6878 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 -0.2367 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5280 -0.6478 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 0.8904 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9631 1.0977 1.0509 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