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
   -1.7486   -0.2813   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    0.9106    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010    0.8293    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9489   -0.3828    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   -0.4668    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155   -0.0583   -0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709   -1.0790    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879   -0.6728   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.7912    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195    1.6739    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739   -1.2871   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -1.3651    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504    0.3883    0.7212 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