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
-1.5939 -0.1381 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1925 -0.5555 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 0.5550 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8201 0.4376 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1279 0.3118 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1378 -1.0622 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6212 0.5356 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0947 -1.3772 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2295 -0.9589 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6786 1.4914 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5510 1.2281 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9810 -0.4675 -1.3531 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