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
   -2.2348    0.0717    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783   -0.3188   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779    0.1458    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014   -0.2454   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    0.1927    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818   -0.4856    1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -0.2064    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2555    1.1681    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206   -0.9976   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    0.8446    1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -0.9291   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    0.8774    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943   -0.1173   -0.4268 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