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
    2.2262   -0.2009    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    0.0214   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -0.0250    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303    0.1877   -0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5774    0.1292   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    0.0944   -0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    0.4516    1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376   -1.2595    0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    0.2251   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2477   -0.2321    1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    0.3930   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041    0.2890   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6772   -0.0740    1.0354 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