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
    2.2404   -0.2854    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841    0.4617    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -0.1732    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232    0.4762    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1421    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851   -0.8854   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    0.4904   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.9322    0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    1.4889    0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -1.1841   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182    1.4905    0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906   -1.1541   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5062    0.3488    0.2302 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