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
   -3.3643   -0.1100   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -0.5480   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740   -1.5167   -1.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.2141    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.4012   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4015   -1.4025   -1.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    0.1355   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939    1.2056    0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -0.4841   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8905   -0.9294    0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336    0.1836   -1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714    0.7677    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649    0.2669    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    1.2717   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    1.6911    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630    1.5939    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430   -0.8284    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    0.2411   -1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496   -1.3511   -1.2121 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