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
    2.2085   -0.2824    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -0.6899    0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186    0.2126   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247   -0.1474   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018    0.7677   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    0.1887    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.1459    0.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.5012   -0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.7034    0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    1.2220   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7889   -1.1749    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836    1.7692   -0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4417    0.4824   -0.4126 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