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
   -2.1247   -0.5861    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.7409    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687    0.2175   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5216    0.0719   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2323    1.0555   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -1.5330    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682    0.0821    1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997   -0.1101   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -1.6481    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    1.1268   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189   -0.8292    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916    1.9905   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3029    0.9031   -0.7631 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