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
    2.2368   -0.1901    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783    0.0020    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949   -0.0077   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080    0.1828   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303    0.1824   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305    0.7656    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -0.7577    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856   -0.8541   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    0.1523    1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.1643   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    0.3324    0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    0.3223   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1546    0.0341   -2.0728 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