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
    3.2923    0.1481    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260   -0.3505    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -1.2459    1.1845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    0.1924   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725   -0.5283    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346   -1.4443    1.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196   -0.1932   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -0.8471    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9744    0.8798   -1.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729   -0.2691   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0927    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861    1.2669   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.0410   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    1.2920   -0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543   -1.6323    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425   -0.5453   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9347    0.7195   -1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042    0.8019   -1.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9187    1.8889   -0.6848 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