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
    3.1850    0.5285   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108   -0.3958   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734   -1.5700   -0.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977    0.1903   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   -0.8178   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1332   -2.0019   -0.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162   -0.4028    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6847   -1.2863    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0529    1.0093    0.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274   -0.0533   -0.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    1.0901    0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    1.1891   -1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951    1.0015   -0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589    0.6557    0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -2.3074    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.9718    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783    1.1066    1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800    1.3382    0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477    1.6978    0.3829 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