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
   -1.8565   -0.6692    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    0.3898    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.3573    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090    1.4698   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -0.9160   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053   -1.6370    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9046   -0.5973    0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    1.3808    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386    2.4594    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675    1.4828   -0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925   -1.1933    0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.7846   -0.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -1.7425   -0.4239 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