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
    2.5687    0.8490    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842   -0.2635   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -1.3972   -0.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591    0.0531    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293   -1.1036    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -2.2565   -0.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778   -0.8900    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.3062    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5572    1.1598    1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    0.5739   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143    1.7640   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.7818   -0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    0.5771    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8685   -1.7151    0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9712    1.1259    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7348    0.4350    0.5460 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