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
    1.8479   -1.2670    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510   -0.4608    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    0.3676   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    1.5972   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6504    0.1424    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -0.8772    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660   -2.2535    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239   -1.5269    0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    1.8760   -0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603    2.2098   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953   -0.7180   -0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    1.0237   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -0.1133    1.2690 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