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
   -2.5865    0.3192   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221   -0.4540   -0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0009   -1.1462   -1.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -0.3620    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    0.3501    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.5828    0.1894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -0.4050    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.2325   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888    0.2333   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650   -0.1007    0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    1.3875   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955   -1.3494    1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    0.2149    1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921   -1.4756    0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    1.2930   -0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9593   -0.3204   -0.2461 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