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
    1.7473    0.2704    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392   -0.8855   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426   -0.7979   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9431    0.4139   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455    0.4987   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8133   -0.0111    0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    0.4728    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798    1.1444   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -1.7949   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538   -1.6230   -0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    1.2509    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    1.4100    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.3487   -0.6969 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