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
   -2.2183   -0.0518   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188    0.0510    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879   -0.0210   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    0.0755    0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    0.0033    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067   -1.1131   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1289    0.3054    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064    0.5749   -1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683    0.1814    1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094   -0.1521   -1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842    0.2058    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648   -0.1299   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809    0.0706    0.8012 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