Monomers

Hex-5-ene-2,4-dione

Identifiers

IUPAC name
hex-5-ene-2,4-dione
InchI
InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3
InchI Key
MSLCOWHBLCTBOW-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C=C
Canonical SMILES
CC(=O)CC(=O)C=C
Isomeric SMILES
CC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
34.14
MolLogP
0.7206
H Bond Acceptors
2
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

 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.5767    0.8319    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5925   -0.1122   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572   -1.0995   -0.6963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.1522    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -0.9089   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569   -1.8413   -1.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301   -0.8748   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    0.0720    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428    0.7908    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160    0.5765    0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439    1.8899    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884    1.1590   -0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756    0.0666    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714   -1.6732   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    0.8760    0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163    0.0950    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  4 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers