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
    3.2394    0.2373   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.2410    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1768   -0.9495    1.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950    0.1469   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -0.4553    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -1.1722    1.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -0.2210    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646   -0.7643    1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1602    0.6225   -0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    1.3543   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -0.0271   -1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710   -0.2106   -0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    1.2699   -0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486   -0.1370   -1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277   -0.5834    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -1.3855    1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029    0.9556   -0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    1.5271   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430    0.0331   -1.8201 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