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
   -2.2012    0.3326   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.0290    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102    0.0261   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722   -0.2684    0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876   -0.2748    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127    0.6800   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -0.5848   -0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751    1.0472    0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835   -0.1955    1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    0.2506   -1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423   -0.4899    1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264   -0.0555   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365   -0.4966    0.7440 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