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
    2.8876    0.5800    0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -0.5440    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633   -1.3512   -0.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958   -0.7830    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589    0.1831   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2809    1.1493   -1.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890   -0.0209   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -1.0283    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.9728   -1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481    1.5500    0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814    0.7825    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    0.3474    1.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -1.8065    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.6971    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528   -1.2451    0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297   -1.7156    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428    1.8757   -0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    1.1958   -2.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855    0.5551   -1.0747 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