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
   -3.0900   -0.3678   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -0.8690    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872   -1.3843    1.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266   -0.7785   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    0.3341    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    1.0219    1.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702    0.6246    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    1.6062    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115   -0.1690   -0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5322   -1.0979   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9014    0.0260    0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760    0.5094   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109   -0.6378   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184   -1.7354   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705    2.1876    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290    1.8345    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732   -0.4985   -1.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    0.4467   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7809   -1.0527   -0.3899 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