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
    2.7219    0.0463   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3978   -0.6101   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455   -1.7307   -1.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    0.0888   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -0.7268   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -1.8456   -1.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434   -0.2326   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589    0.9550    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189   -0.7520   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051    0.5058   -1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906    0.8425    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296    1.0447   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328    0.3288    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2018   -0.8222   -0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    1.3287    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    1.5792    0.6003 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