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
   -3.2204   -0.2514    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976    0.5750    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706    1.7789   -0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994   -0.0929    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409    0.8003   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    2.0368   -0.2613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    0.2558   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403    1.0380   -0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126   -1.2134   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693   -0.3241    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856   -1.2956   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0922    0.1813   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -0.8338   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -0.7116    0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    2.1003   -0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    0.6211   -0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025   -1.4144    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527   -1.5413   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1109   -1.7090   -0.4512 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