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
    3.1129    0.6530    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389   -0.0932    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -0.7787    1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8407    0.0517   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.7301   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309   -1.9618   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.1878   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    1.0715    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575   -1.0670    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    0.4636   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735    0.5171    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358    1.7337   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3123   -0.2854   -1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    1.1146   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799    1.7682    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944    1.4834    0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6453   -0.5157   -0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0009   -1.1843    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660   -2.0529   -0.3539 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