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
   -0.9203   -1.1162   -0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145    0.1829   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    0.9543    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    0.5022    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8908    0.0994    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6921   -1.6130   -1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0096   -0.9766   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -1.7291   -0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277    0.4862   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    1.8698    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    1.6702    1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512   -0.9091    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059    0.5790    1.2665 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