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
   -2.2032    0.2031   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    0.6372    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -0.2191   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4847    0.1917    0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -0.6487    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    0.7167    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323   -0.8919   -0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    0.3722   -1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885    1.6090    0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022   -1.1895   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    1.1844    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886   -1.6056   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564   -0.3595    0.4028 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