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
    3.2223    0.5290    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -0.3436   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108   -1.4692   -0.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107    0.2076    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -0.7481   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -1.8951   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628   -0.4117   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -1.2909   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    0.9336    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503    0.4379    1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    0.2243   -0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    1.5865    0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377    0.5439    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    1.1439   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3820   -2.2776   -0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350   -1.0409   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    1.6412    0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7469    0.8765    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    1.3525   -0.4653 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