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
   -2.3721    0.8451    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.4759    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939   -1.4205    0.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947   -0.9077    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    0.0773    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    1.3100    0.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481   -0.3924    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705    0.4482    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7468    0.9831    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188    0.8417   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    1.7106    0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -1.5992    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2743   -1.5880   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954   -1.4423   -0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.5122    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    0.0977   -0.0750 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