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
   -2.2531   -0.2767   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327   -0.1158    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662    0.0190   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    0.1779    0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.3106   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1027   -0.7090   -1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371    0.7116   -0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322   -0.9374    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.1151    1.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    0.0092   -1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    0.1933    1.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385    0.4309    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    0.3016   -1.3406 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