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
1.9071 0.0875 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -0.4071 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.3572 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 -0.1226 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 -0.4919 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1536 0.0164 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 1.1600 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -1.4208 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3325 1.3798 0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4477 -0.4032 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4607 0.7612 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 -0.9166 -0.9249 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