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
    2.7595    1.1861    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5183    0.4956   -0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    0.7630   -1.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471   -0.5523    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -1.1852   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725   -2.3296   -0.6163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679   -0.6175   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692   -1.2614   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991    0.7238    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1146    0.8249    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458    2.2875    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640    0.9938   -0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582   -1.2886    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -0.0941    1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5799   -0.8478   -0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -2.2370   -1.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132    0.6100    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    1.2003    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    1.3286   -0.3673 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