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
   -2.1215    0.3824    0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461    0.5601   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.1143    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.0441   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -0.6349   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687   -0.4722    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8376    0.1841    1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    1.3360    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.2521   -0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214   -0.8235    0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    0.7267   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337   -0.5285   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988   -1.3337    0.3151 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