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
    3.3425   -0.1777   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9719   -0.6792    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -1.7284    0.8426 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8175    0.1409   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -0.4883    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4961   -1.5751    0.7360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979    0.1796   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580    1.3325   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0298   -0.3991    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    0.5484    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844   -1.0205   -0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973    0.3519   -0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    1.1494    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8382    0.3007   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663    1.8481   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053    1.8157   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7943    0.4083    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -1.1236   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627   -0.8838    1.0589 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