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
   -1.5503   -0.6190   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630    0.7139   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381    0.8755    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679   -0.2359    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891   -0.0677    0.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6157   -1.3884    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045   -0.5108   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927   -0.9122   -1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468    1.5461   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    1.8364    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -1.1967   -0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578    0.8922    1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -0.9335    0.8086 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