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
    1.6917   -0.9290    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    0.0085    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.3516    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3558    0.7552   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651    0.2669   -1.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280   -0.8082   -0.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6526   -0.6628    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3178   -1.9403    0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067    0.2603    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8959    1.1217    1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845    1.4168   -0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525   -0.3905   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    0.5499   -2.4684 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