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
    2.9271    0.0395    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7754   -0.8296    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   -1.8897    0.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626   -0.4588   -0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1198    0.5600   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843    1.5892    0.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    0.4461   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2477    1.4163    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2805   -0.7482   -0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    1.0554   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.1296    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.3782   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -1.3314   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742   -0.0931   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7877    2.3085    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293    1.3649    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -0.8701   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269   -1.6995   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4431   -0.6106   -1.8038 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