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
   -2.8735   -0.3361   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184   -0.4040    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102   -1.3960    0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571    0.6807   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011    0.2764    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747   -0.0161    1.4146 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597    0.1938   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598   -0.1687   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226    0.6650    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4175   -1.1455    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248   -0.5764   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5147    0.8194   -1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763    1.6159    0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537    0.4332   -1.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476   -0.4042    0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1185   -0.2375   -0.8625 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