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
cid=

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
   -1.7792    0.4574    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0306   -0.5266   -0.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563   -0.6512   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    0.1804    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698    0.0490    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    0.3916    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    1.5092   -0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559    0.2112    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5577   -1.1303   -1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -1.3805   -1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    0.9180    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.6534    1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -0.6818   -0.0632 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