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
   -2.4471   -0.0716   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334   -0.5349    0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -0.7835    2.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0221   -0.6437    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173    0.6914    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504    1.6837    0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    0.9231   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.0434   -0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130   -0.8903   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0422    0.7843    0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    0.2881   -1.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847   -1.0453    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -1.3651   -0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    1.9236   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273    0.1414   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -1.0577   -0.4141 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