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
1.3622 0.1538 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7475 -0.4602 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5592 -0.3857 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4318 0.3136 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 -0.0338 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1131 1.2106 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.3588 1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 -0.9667 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9763 -0.8332 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1989 -0.4359 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9604 1.1548 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8053 0.6416 1.0135 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