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
    1.6631   -0.1524   -1.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236   -0.1691   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    0.0633   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845    0.0442    1.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510    0.2663    1.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228   -1.2125   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399    0.3829   -2.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.3282   -1.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -0.3765    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    0.2694   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465   -0.1676    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    0.2357    2.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723    0.4881    0.6667 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