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
   -2.9040    0.1943    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    0.6436    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    1.8123    0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180   -0.3552   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.2514   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202    1.4901    0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809   -0.6261   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925   -0.1189   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.8847    0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3063    0.2980   -1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862    0.7954    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5189   -1.0604    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168   -0.9461   -1.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941   -1.6942   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002    0.9474   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655   -0.7471   -0.2639 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