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
   -2.8947   -0.1170   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    0.4515   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    1.5599   -0.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -0.3623    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    0.3150   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813    1.4662   -0.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -0.3870    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867    0.2078   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8782   -1.1639    0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4892   -0.0853   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.4639    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -0.5195    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644   -1.3526   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.3764    0.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    1.1946   -0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -0.2951    0.2091 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