Monomers

1,3-Pentadiene

Identifiers

IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=C/C=C
Resources

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
   -2.2866   -0.1946    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684   -0.2885    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.1184   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128    0.0019    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403    0.3958   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072   -1.1358   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646   -0.0783    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055    0.6479   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -0.7152    1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0911    0.5433   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021   -0.4283    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503    0.2955   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.8378   -1.3536 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