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
1.5604 0.2215 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2520 0.4341 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7183 -0.6496 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8629 -0.3281 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.7749 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7519 -0.8655 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 0.6677 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1702 1.4060 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5246 0.4354 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5145 -1.6900 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 0.6956 -0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5752 -1.1021 -0.5659 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