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
    2.8099   -1.1069    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209   -0.7323   -0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959   -1.6095   -0.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256    0.6466   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    0.6124   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593    0.7318   -2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4091    0.4372    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    0.3083    1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756    0.4001   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023   -0.3150    0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332   -2.0588    0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -1.2147   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    1.3925    0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378    0.9228   -1.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8397    0.1786    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444    0.3272    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917   -0.6746   -0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    0.9784    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0142    0.7760   -1.2110 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