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
    2.2760   -0.0171   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748    0.1812   -0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499   -0.0806    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757    0.1434   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124   -0.1170    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -1.1009   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    0.5083   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    0.3377    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261    0.5515   -1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351   -0.4509    1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.5094   -1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975   -0.4943    1.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363    0.0292    0.1559 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