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
   -2.2614    0.0395    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9195   -0.3092   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    0.0986    0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079   -0.2167   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6007    0.1846    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105    0.8929   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843   -0.8087    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730    0.3795    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039   -0.9110   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008    0.7180    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6112   -0.8214   -0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.7939    1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911   -0.0399    0.2847 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