Monomers
beta-Butene
Identifiers
IUPAC name
but-2-ene
InchI
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3
InchI Key
IAQRGUVFOMOMEM-UHFFFAOYSA-N
SMILES
CC=CC
Canonical SMILES
CC=CC
Isomeric SMILES
CC=CC
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
1.7546 0.2103 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2742 0.1782 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2721 -0.1817 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 -0.2061 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0251 1.2147 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2609 0.0124 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0344 -0.6143 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 0.4652 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 -0.4546 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1611 0.8078 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0663 -0.5695 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 -0.8623 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
1 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
3 9 1 0
4 10 1 0
4 11 1 0
4 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers