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
   -2.6174    0.6856    0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -0.1120    0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3909   -0.9850    1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1881    0.1210   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392   -0.7754    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087   -1.6168    1.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2309   -0.7447   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503    0.1010   -1.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4512    1.5950   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120    0.0590    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222    1.0849    1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -0.0883   -1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    1.1842    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0019   -1.4397   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    0.8062   -1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5093    0.1251   -1.7641 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