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
    3.0800   -0.0766    0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -0.4791   -0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027   -0.4983   -1.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -0.8331   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    0.3491   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077    1.4115   -0.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6065    0.2027    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357   -0.9276    0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5605    1.3355   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    0.3515    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6964    0.7302   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.9728    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847   -1.1371    0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -1.6389   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -1.0331    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206   -1.7587    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    1.9018   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    2.0644    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6148    1.0086   -0.0046 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