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
    1.8243    0.1792   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -0.6314    0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153   -0.5731    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433    0.3087   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    0.3688   -0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083    1.2230   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -0.1172   -1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910    0.0151    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -1.2929    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -1.1698    1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126    0.8955   -0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406   -0.2154    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275    1.0095   -1.0762 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