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
   -2.4694   -0.0640   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702   -1.0520   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6322   -2.2662   -0.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.7328   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    0.6972   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    1.5314   -0.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497    1.1834   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774    0.3516    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389   -0.6191   -0.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    0.6070    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980    0.5186   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322   -1.1858   -0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877   -1.2193    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    2.2452   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634   -0.7200    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    0.7248    0.0996 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