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
    2.2073    0.0843    0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9985    0.0182   -0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979   -0.0228   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.0697    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -0.1232   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.7560    1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -0.9300    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    0.4928   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499    0.0170   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154    0.1468    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9217   -0.0727    1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2949   -0.1317   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5678   -0.1649   -0.3914 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