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
    2.9028    0.0282   -0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.2836   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218   -0.8994   -1.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4348    0.1956    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163   -0.1708   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950   -0.8184   -1.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993    0.2129    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -0.0833    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994   -0.6269   -0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469   -0.1130    0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    1.0810   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981   -0.2098    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876    1.3229    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667    0.7739    1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1504    0.2253    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -0.6348   -0.7296 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