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
    1.9699   -0.1109   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.6003    0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -0.1550    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -0.6730    0.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    0.9073   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851    0.6655   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.4713    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870   -1.3797    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -1.4467    1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -0.3803    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165    1.9234   -0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    0.9336   -1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600    0.7874   -1.2054 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