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
    2.1085    0.8962    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    0.3903    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0269   -0.0614   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.5397   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428   -0.9601   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    1.1939   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241    0.1121    0.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287    1.7340    1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182    0.3475    1.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905    0.0023   -1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117   -0.8279   -1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -0.9480    0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400   -1.3393   -0.9429 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