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
    2.6675   -1.3836   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730   -0.8251   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -1.6628   -0.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201    0.6454   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    0.8155   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    1.2000   -1.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402    0.5530    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8447    0.1639    1.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175    0.6939    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081   -0.8276   -0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003   -2.4606   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945   -1.2504    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879    1.0946   -1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067    1.1005    0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5798   -0.0196    2.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    0.0390    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361    1.6101   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -0.2033   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    0.7170    1.3700 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