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
    2.8597    0.0088   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8984    1.1185   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032    2.2848   -0.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    0.9853   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -0.3869    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784   -1.3383   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297   -0.6768    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -1.9293    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179    0.4525    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    0.3988   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -0.5731    0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524   -0.6970   -1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1735    1.6477    0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    1.4092   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -2.7443    0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9066   -2.1225    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4124    0.0401    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767    1.2282   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064    0.8943    1.3711 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