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
1.8901 0.1487 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5278 -0.4393 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4820 0.3550 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8703 -0.1564 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 0.7358 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9961 0.8966 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6850 -0.6173 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3605 -1.5198 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3052 1.4073 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2806 0.0539 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8748 -1.2457 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5326 0.3811 0.2782 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