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
    3.2255    0.3232   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -0.4025    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324   -1.3683    1.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    0.0832   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102   -0.6932    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -1.6952    1.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750   -0.2860    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085   -0.9479    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0323    0.8974   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -0.1417   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533    0.3544    0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605    1.3809   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957    1.1349    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549    0.1424   -1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -0.6380    0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510   -1.8008    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0196    1.3548   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    0.6336   -1.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    1.6688   -0.4426 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