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
    3.3054   -0.2651    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868    0.3178    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485    1.2099    1.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827   -0.2117   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591    0.4494    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    1.3655    1.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    0.0119   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693   -0.9524   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647    0.6815    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    0.5903    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139   -0.6736   -0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342   -1.0532    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -1.2913    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -0.1550   -1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8428   -1.4387   -1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185   -1.2558   -1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566    0.0973   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    1.7187   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382    0.8542    1.3182 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