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
   -2.2158    0.3642   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -0.3952    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633    0.1827   -0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -0.5480   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    0.0158   -0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    1.4382    0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9884    0.0234    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    0.1876   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748   -1.3974    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841    1.1911   -0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353   -1.5758    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190    1.0386   -0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549   -0.5253   -0.4992 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