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
    3.3169   -0.0695    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    0.4855   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    1.6123   -0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -0.2416    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228    0.5973   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1695    1.7259   -0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057    0.1880   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    0.9781   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1472   -1.1248    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -0.7029   -0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -0.6794    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    0.7529    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -1.2201   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347   -0.4907    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5029    1.9319   -1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8127    0.7235   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -1.9445   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1930   -1.4215    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052   -1.1003    1.4752 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