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
    2.5562    0.3195    0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    0.9775   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5461    2.1828   -0.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346    0.0848   -0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574   -0.7170   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908   -1.8215    0.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3955   -0.2298   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    0.9414   -0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -1.1126    0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    0.8020    0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -0.7645    0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    0.4621    1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652   -0.6010   -1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732    0.6695   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611    1.2246   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.6031   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -1.0380    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2378   -2.1783    0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869   -0.8045    0.6072 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