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
    3.2974   -0.4732   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794    0.1870    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201    1.1032    1.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612   -0.3009   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286    0.4596    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    1.3687    1.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    0.1439    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834   -0.8249   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    0.9078    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659   -1.5474    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -0.4332   -1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954    0.0815    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5978   -1.3701    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318   -0.1699   -1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156   -1.0625   -1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374   -1.4197   -1.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    0.8173    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641    1.9997    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    0.5330    1.7734 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