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
    2.9921   -0.5980   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930    0.0031    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216    0.1287    1.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791    0.4510   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    1.0318    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972    2.2146    0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    0.3292    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980    0.9291    1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801   -1.0829   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -1.0802    0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992    0.1701   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -1.3350   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -0.4085   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984    1.2691   -1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    1.9570    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5215    0.3881    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -1.6251    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835   -1.1531   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908   -1.5891   -0.1947 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