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
    3.0568   -1.1583    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706   -0.1497    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    0.9859    0.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419   -0.4693   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    0.7453    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204    1.8516    0.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.7969   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804    1.7167    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398   -0.5567   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -2.1497   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835   -1.1688    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -0.8394   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -0.9304   -1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.2584    0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724    2.5181    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    2.6122    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806   -1.0361    0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -1.1192   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1947   -0.3905   -1.1751 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