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
   -2.7623    0.7729   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    0.4424    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    1.3656    0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8331   -0.9190    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153   -0.8370    0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907   -1.2588    2.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765   -0.2572    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7731   -0.1783    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730    0.2753   -1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5354    0.7344    0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    0.0364   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    1.7514   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990   -1.2900   -0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4764   -1.6332    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    0.2446    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9489   -0.5420    1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3208    0.3547   -1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585   -0.3602   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    1.2979   -1.2381 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