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
    2.2552    0.3082   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -0.3664   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1559    0.1663   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -0.4785   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5684    0.0304    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660   -0.0716    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    1.3909    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    0.0975   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725   -1.2793   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.0848    0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627   -1.4029   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487    0.9422    0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5160   -0.4216   -0.0695 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