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
    3.2298    0.3339   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -0.1927    0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424   -0.3306    1.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444   -0.5468   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    0.1467    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2733    0.9188    1.2043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556   -0.0283   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989   -0.8542   -1.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650    0.7102    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    0.3325    0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.2661   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    1.3894   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0119   -0.2225   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776   -1.6544   -0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -1.0359   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -1.4040   -1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8513    0.8751    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8046    0.1442   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395    1.6845   -0.5008 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