Monomers

Isoprene

Identifiers

IUPAC name
2-methylbuta-1,3-diene
InchI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InchI Key
RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES
C=CC(=C)C
Canonical SMILES
CC(=C)C=C
Isomeric SMILES
CC(=C)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
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

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.9953   -0.1922   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0094    0.6092    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3991    0.2159    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985    1.1167    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642   -1.0858   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0014    0.1335   -0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -1.1785   -0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    1.6087    0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    2.1249    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614    0.9304    0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479   -0.9176   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -1.7149    0.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -1.6503   -0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  3  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers