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
    3.0920   -0.3670    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    0.1548    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975    1.3023    0.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -0.6567   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4540    0.1198   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    0.8336   -1.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    0.1081   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -0.6125    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021    0.9301   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062   -0.5018    1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -1.3529    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    0.3774    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356   -0.9453   -1.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346   -1.5942   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4929   -0.5776    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -1.2079    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108    0.7073    0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    0.7354   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762    1.9944   -0.2184 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