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
    3.3342   -0.1844   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.2332   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8278    0.9437   -1.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8111   -0.2188    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633    0.2981   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    1.0271   -1.4512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -0.0739    0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813   -0.8443    1.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9754    0.4138   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.0317    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133   -1.2556   -0.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1173    0.4034   -0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -1.3259    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433    0.1344    1.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5955   -1.1279    1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -1.2283    1.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9089    0.5551   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8291   -0.2436   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272    1.4475    0.1054 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