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
    3.1641   -0.2473    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975   -0.8172    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6313   -1.9337    1.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -0.0019    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142   -0.6681    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -1.8275    0.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    0.0456   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528   -0.5344   -0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    1.4195   -0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733    0.8578    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948   -0.5844   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562   -0.6751    1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270    0.9257    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    0.3048   -0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0349   -1.5253    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462   -0.0502   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163    2.0171   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672    1.8984   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261    1.3962   -1.9137 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