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
    3.2698    0.0590   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092   -0.6020    0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705   -1.6734    0.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7275    0.0737   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4462   -0.6715    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033   -1.7693    0.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -0.1275    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091   -0.8255    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0003    1.1751   -0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401    0.0690   -1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.4601    0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    1.1452    0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    1.0606    0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.3236   -1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8136   -0.4585    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6994   -1.7827    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755    1.0106   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401    1.5044   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    1.9493    0.2405 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