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
    3.3364   -0.1476    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    0.5409   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    1.6622   -0.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -0.1727    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980    0.5854   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.7492   -0.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -0.0192   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259   -1.2363    0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9754    0.6865   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -0.8781    1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.7287   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    0.5950    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8348   -1.1219   -0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463   -0.5193    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513   -1.7341    0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -1.7952    0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5044    0.8349    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6515    0.0323   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8134    1.6667   -0.8723 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