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
    1.7395   -0.0669   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.2167    0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108   -0.0515    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -0.2055    1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182    0.3005   -0.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804    0.1844   -1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -0.1934   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906   -0.4678    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.4553    2.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -0.0834    1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907    0.1835   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002   -0.3018   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.3738   -1.0373 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