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
    3.3515    0.2545   -0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.0582   -0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682   -0.1294   -2.1104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.0943    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855   -0.1225   -0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733   -0.3075   -1.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -0.1244    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6626    0.0680    1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0494   -0.3372   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692   -0.1906   -1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.2218    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5355    1.3514   -0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.6928    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823    1.1124    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301    0.0763    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    0.2248    1.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797   -0.7498   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921    0.6415   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.0056    0.2906 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