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
   -2.2579   -0.2393   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.4821   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644   -0.1751   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.4944   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888   -0.1661   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5211   -0.7654   -1.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964    0.4638   -0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -0.9939    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413    1.5532   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.2601   -0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4960    1.5594   -0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623    0.2938   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063   -1.2469   -0.2681 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