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
   -1.6418    0.2495    1.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470   -0.0540   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.0838   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3474   -0.1164   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063    0.1469    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446    1.2792    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249   -0.4082    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    0.1673    1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -0.2016   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -0.3317   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784   -0.3437   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    0.1099   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730    0.3761    1.0918 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