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
    2.9908    0.5069   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -0.4879   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699   -1.2878   -1.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753   -0.5306    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354    0.3461    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    1.5224    0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -0.0990    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807   -1.3099    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6189    0.9038   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    0.1163   -0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4713   -0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    0.6589    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784   -0.0458    1.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -1.5398    1.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -1.5958    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341   -2.0959    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    1.7372    0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    0.4812   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418    1.2485   -1.1847 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