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
    2.1264   -0.7772    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -0.2613   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    0.0227    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.5195   -0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471    0.8079    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233   -1.8803    0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930   -0.4634    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -0.2655    0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295   -0.1164   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -0.1115    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    0.6610   -1.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6132    0.6877    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    1.1766   -0.3956 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