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
    3.2911    0.2713    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    0.1127   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -0.0473   -1.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908    0.1424    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930   -0.0433   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.1889   -1.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7937   -0.0645   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944   -0.2326   -1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1747    0.1055    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    0.0593    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386   -0.4235   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    1.3012    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569    1.1107    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813   -0.6635    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7637   -0.2607   -1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4108   -0.3591   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919    0.2645    1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572   -0.8347    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8419    0.9740    1.2489 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