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
   -2.2427    0.2608    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233    0.1062   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469   -0.0225    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615   -0.1767   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403   -0.3063    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0744    0.8083    1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289   -0.7251    0.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360    0.8771   -0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8062    0.0950   -1.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0277   -0.0110    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5800   -0.1881   -1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -0.2963    1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.4215   -0.1522 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