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
   -1.7549    0.5437    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -0.8066    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678   -0.9119    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    0.2607   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022    0.1612   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920    0.5243    0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155    1.2541    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434    1.0011   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.6410    0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227   -1.8770    0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526    1.2751   -0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265    1.0272   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -0.8111   -0.2440 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