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
    1.6540   -0.3615   -1.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    0.3761   -0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496   -0.1876    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    0.5767    1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -0.0074    1.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691   -1.3004   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381   -0.5791   -2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778    0.2219   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877    1.4511   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342   -1.2750    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9741    1.6441    1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.5395    2.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048   -1.0984    1.9592 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