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
   -3.2025   -0.4067    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    0.2724   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942    1.1016   -1.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6959   -0.1324    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    0.5924   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    1.4359   -1.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471    0.3125   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    0.9389   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1155   -0.7077    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036   -0.7593    1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902   -1.3183   -0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298    0.3169    0.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864    0.1716    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -1.2321    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    1.6706   -1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337    0.6989   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -1.5134    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -0.2534    1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795   -1.1885    0.3894 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