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
    3.1918   -0.3716    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681    0.2962    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7271    1.1428    1.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -0.0131   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264    0.8334   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246    2.0685   -0.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7257    0.2754    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7142    1.0803    0.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -1.1873    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8494   -0.0728    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059   -0.1632   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683   -1.4858    0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243    0.3887   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846   -1.0768   -0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331    2.1604    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7165    0.7228    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -1.4208   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -1.7279    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8465   -1.4492    0.7276 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