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
   -2.6327    0.5178   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289   -0.4114    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777   -1.5441    0.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503    0.0570    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -0.9701    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714   -2.1360    0.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -0.5925    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6249    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6274    0.0228   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302    0.9254   -1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769    1.3798    0.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    0.9270    0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0555    0.3282   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -1.3307    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    0.8505   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572    1.3515   -0.2514 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