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
    3.3376    0.2494   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686   -0.5197    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -1.7071    0.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    0.2356   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.6453    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -1.8881    0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071   -0.0389    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8493    1.2615   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9578   -0.8436    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -0.2375   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075    0.4147    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668    1.2725   -0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533    0.9598    0.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454    0.8520   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608    1.8910   -0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979    1.7491   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584   -1.8726    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018   -0.7372   -0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5532   -0.3956    1.0062 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