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
   -1.2377   -0.5429   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440   -1.2653   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -0.6041    0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692    0.8157    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183    1.4276    1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4925   -0.2988   -2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210   -1.1822   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    0.4029   -0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -2.3050   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959   -1.1699    1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0599    1.3283   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    2.4812    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    0.9125    1.9012 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