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
   -2.5539    0.0935    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303    0.8624   -0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    1.6356   -1.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.7169    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -0.5377   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -1.2605   -1.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -0.9757   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -0.3381    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -0.8634   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4279   -0.2387    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5227    0.6044   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    1.5405   -0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    0.8170    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -1.9273   -0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911   -0.7413    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127    0.6123    1.1240 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