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
   -2.8027   -0.1446   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651    0.1488    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715    0.2828    1.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    0.2683   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9331    0.5604   -0.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939    1.7191   -0.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -0.4929   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.2612   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8888   -0.7070   -1.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    0.8153   -0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -0.7610    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201    1.0318   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -0.7049   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509   -1.5103   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9443   -1.0044   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526    0.7597   -0.0031 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