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
    3.1984   -0.3960    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -0.9993   -0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -2.1992   -0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -0.0785   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321   -0.4298    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039   -1.4368    0.9397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6153    0.3955    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675    1.4575   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028    0.0275    0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6918    0.1189   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579   -1.1362    0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    0.3860    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    0.9695   -0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4064   -0.1675   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097    1.7287   -1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384    2.0722   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7027    0.5797    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734    0.1702    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392   -1.0624    0.8349 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