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
   -1.9927    0.0351    0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824    0.0624   -0.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155   -0.0795   -1.5082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407    0.2458   -1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7064    0.4307   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.5209    0.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971   -0.5820    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6057   -0.3577    0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344    0.5344    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0770   -1.0128    1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    0.6032    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -0.6144   -1.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3817    1.1287   -1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530   -1.5148   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -1.0209    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    0.6207    1.4935 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