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
    3.2259   -0.4662    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275    0.4090    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    1.5932    0.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912   -0.2217    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    0.7785    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    1.9810    0.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798    0.3751   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7267    1.2898    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114   -1.0496   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831   -0.6268   -0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561   -1.4498    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    0.0480    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225   -0.9344    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002   -0.7685   -0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206    2.3316    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7464    0.9921   -0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588   -1.6059    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1008   -1.1460   -0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776   -1.5294   -0.9728 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