Monomers

cis-1,3-Pentadiene

Identifiers

IUPAC name
(3Z)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
InchI Key
PMJHHCWVYXUKFD-PLNGDYQASA-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
    2.2580   -0.2976    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458    0.3599   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -0.1727    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    0.5208   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -0.0763    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646   -0.2091   -0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8156    0.1667    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.3527    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    1.3134   -0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398   -1.1373    0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    1.4829   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5170    0.4213    0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680   -1.0193    0.8713 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