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
    2.8862    0.5290   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745   -0.6688   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -1.6206   -0.9765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646   -0.8662   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    0.3211   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3181    1.3519   -0.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976    0.3457    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439    1.4214   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -0.8472    0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7665    0.2768    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    1.3916    0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3543    0.8720   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -1.2349    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2110   -1.6806   -0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3846    1.4619    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487    2.3005   -0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -0.7525    1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615   -0.8062    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314   -1.7948    0.3666 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