Monomers

Hex-5-ene-2,4-dione

Identifiers

IUPAC name
hex-5-ene-2,4-dione
InchI
InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3
InchI Key
MSLCOWHBLCTBOW-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C=C
Canonical SMILES
CC(=O)CC(=O)C=C
Isomeric SMILES
CC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
34.14
MolLogP
0.7206
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

 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.8910    0.4437   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    0.2655    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797    0.3014    1.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3956    0.0364   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -0.1141    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -0.0381    1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1404   -0.3476   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -0.4813    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -0.3002   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0255    1.4854   -0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6152    0.2066    0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -0.8577   -1.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    0.8829   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -0.4126   -1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2697   -0.4173    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846   -0.6532   -0.2159 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
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  4 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers