Monomers

5-Methylhex-5-ene-2,4-dione

Identifiers

IUPAC name
5-methylhex-5-ene-2,4-dione
InchI
InChI=1S/C7H10O2/c1-5(2)7(9)4-6(3)8/h1,4H2,2-3H3
InchI Key
RKAZWPVRTYSEED-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)CC(=O)C
Isomeric SMILES
CC(=C)C(=O)CC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
34.14
MolLogP
1.1107
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

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.6927    0.6761    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -0.5428    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934   -1.3761   -0.1943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -0.8725   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    0.1557    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228    1.1972    0.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5469   -0.0122   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602   -1.1001   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    1.0167    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    1.5495    0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2285    0.8238    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795    0.6644    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107   -1.1021   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -1.7981    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -1.8549   -1.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0075   -1.2595   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769    1.7248    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4548    0.5270    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    1.5830   -0.7937 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
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  4 14  1  0
  8 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers