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
    1.6103   -1.0289    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1117   -0.0651   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    0.3669   -0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132    1.3237   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362   -0.2395    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766   -1.4965    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277   -1.3798    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    0.3617   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156    1.7941   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    1.6550   -0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0301   -1.3636    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914    0.1184    1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126   -0.0462    0.5924 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