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
    1.9055   -0.1296    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8249   -0.8487   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.2053   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484   -0.8980   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726    1.2189    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    0.9085    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -0.6187    0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990   -1.9179   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -1.9360   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409   -0.4646   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    1.5301    0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2289    1.8746   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0819    1.4865    1.1395 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