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
    1.8231   -0.6130   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    0.4240   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688    0.3686   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    1.4221   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997   -0.8768    0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615   -0.5829   -0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -1.5343    0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    1.3155   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    2.3299   -0.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1726    1.3239    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461   -1.7627   -0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190   -0.7761    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010   -1.0382    1.6069 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