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
   -1.7798   -0.0697   -1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -0.0777    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    0.0137    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.0073    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2847    0.0985    1.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432   -1.0895   -1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412    0.5806   -1.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728    0.4019   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -0.1598    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    0.0951   -0.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -0.0745    2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    0.1800    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8323    0.0942    2.3427 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