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
    2.0825    1.1049   -1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2643   -0.0936   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155   -1.1972   -1.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    0.1155   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237   -1.1416    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410   -2.2154   -0.3418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836   -1.1313    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.0010    1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559    0.9425   -2.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    1.3436   -0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    1.9628   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243    0.5728    0.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555    0.8903   -0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3231   -2.0760    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    0.0135    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330    0.9102    1.4459 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