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
    0.9057    0.4093    1.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    0.6629    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530    0.2403   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.4418   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -0.8350   -1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592   -0.6611    1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    0.9979    1.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    0.6533    2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273    1.1672   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829    0.4230   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0879   -0.6188    0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4684   -0.6573   -2.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973   -1.3399   -0.9179 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