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
   -2.2313   -0.3457   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738   -0.6237   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.2018    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229   -0.1155    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    0.6729    0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282    0.0976    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8162   -1.2849   -0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    0.3502   -1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605   -1.5481   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898    1.1275    0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665   -1.0455   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831    0.4503    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013    1.5972    1.1072 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