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
    2.1781    0.2780   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    0.0132    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.0222   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141   -0.2457    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5761   -0.2534    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0952    0.4128   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    1.2247   -1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506   -0.5287   -1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.1901    1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4226    0.2222   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1151   -0.4497    1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081   -0.0561   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4066   -0.4494    0.8426 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