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
   -3.0457    1.0107    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    0.2447   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -0.0952   -1.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.0929    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237   -0.8915   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2335   -1.9531   -0.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117   -0.5892   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754   -1.4164   -0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    0.6350    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6811    0.3276    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6820    1.7813    1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5756    1.5743   -0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377    0.8227    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -0.6684    1.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057   -1.2281   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257   -2.3057   -1.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6164    1.2594    0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    0.3395    0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    1.2453   -0.5565 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