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
    2.1062   -0.4868   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279   -0.5985    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227    0.4094   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9617    1.2989   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -0.5950    0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    0.4059   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -1.2516   -0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958   -1.5490    0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    2.0058   -0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0911    2.1461   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303   -0.0415    1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -1.5204    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975   -0.2233   -0.0878 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