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
   -2.3114   -0.1582   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    0.0757   -0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -0.1128    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    0.0958    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.2834   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -0.9954    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783   -0.4525   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899    0.7288    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    0.3927   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420   -0.4430    1.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8157   -0.2309    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    0.1875    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8338    0.6289   -1.3649 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