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
    3.2101   -0.7365   -0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    0.1544   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.2464   -1.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002   -0.3111   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268    0.7085   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0624    1.8021   -1.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326    0.5277   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820    1.4565   -0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323   -0.7166    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351   -1.0079   -1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848   -0.2583    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.6597    0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -0.6764    0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5023   -1.2038   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.3846   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    2.3838   -1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   -0.9605   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -1.5669    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -0.5663    1.3798 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