Monomers

1,3-Pentadiene

Identifiers

IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=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
    1.7819    0.3625    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    0.2190   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550   -0.0409   -0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9383   -0.1874    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351   -0.4501    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420    0.6428    0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -0.6207    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315    1.0972    0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351    0.3276   -1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8073   -0.1464   -1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892   -0.0828    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186   -0.5619   -0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7420   -0.5587    1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers