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
   -2.2473    0.0690    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    0.0764    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226   -0.0168    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302   -0.0173    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -0.1129   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    0.9835   -0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867   -0.7946   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    0.0007    1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5512    0.1552    2.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408   -0.0991   -0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851    0.0625    1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494   -0.1956   -1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4843   -0.1109   -0.1674 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