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
   -3.2470   -0.6488   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999   -0.7197    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258   -1.3487    1.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994   -0.0826   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.3029    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -0.9782    1.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7659    0.2879    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    0.1218    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    1.1014   -1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330   -1.5582    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995    0.2446    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2647   -0.5698   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589   -0.5128   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    1.0079   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947   -0.4734    1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.5415    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1876    2.1070   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8594    1.1376   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6135    0.6455   -1.8010 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