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
   -1.8954    0.0516    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    0.9267    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395    0.6514    0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.5412   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997   -0.7849   -0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630    0.5954    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -0.2488   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -0.8265    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    1.8170    1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773    1.3335    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100   -1.2340   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352   -0.0977    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912   -1.6425   -0.7455 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