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
    2.1820    0.5115    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201   -0.3079   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    0.1380    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3717   -0.6545   -0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699   -0.1897   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    1.5741   -0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3428    0.5218    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094    0.1921   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -1.2362   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001    1.0870    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692   -1.6013   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    0.7520    0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239   -0.7870   -0.3389 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