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
    3.2631    0.7285    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -0.1135    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547   -1.2206    0.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399    0.3493   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494   -0.6389    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -1.7638    0.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -0.2586   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.9128   -0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7747   -1.2182   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524    1.1811   -0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682    0.1076    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    1.5009    1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3981    1.2891    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211    0.6132   -1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155    1.6572   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863    1.2280   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5136   -0.7263    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -2.1864    0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -1.4415   -1.0810 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