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
    3.2854   -0.4545   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598    0.0681    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005    0.7085    1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578   -0.2015   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    0.3739    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2718    1.0385    1.5959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    0.1403   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.5493   -1.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    0.7112    0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558   -0.3512   -1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -1.5283   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2039    0.0810    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901   -1.3056   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196    0.2318   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709   -0.9739   -1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -0.6936   -1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248    1.7798    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067    0.7489    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7902    0.1760    0.5336 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