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
   -2.8982    0.0428   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    0.9564    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998    2.1021    0.6269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    0.4255    0.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    0.3189   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747    0.6889   -1.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369   -0.2333   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2696   -0.3512   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.6937    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -0.9699   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825    0.4338   -1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382   -0.0961    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597   -0.5589    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    1.1668    1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531   -0.7547   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752   -0.0376   -2.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -0.9789    1.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544    0.1222    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424   -1.5831    0.6850 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