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
    2.5871    0.3719   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    0.1448    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327   -0.2129    1.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607    0.3373    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377   -0.9230    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817   -2.0505    0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.8716   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962    0.2627   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    1.4785   -0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5511    0.0956    0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -0.2017   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299    0.8213    1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    1.0060   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051   -1.7721   -0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312    0.3435   -0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636    1.1702   -0.1766 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