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
   -2.7243    0.1501   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821    0.1114    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    0.6755    1.2837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -0.6424   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -0.6648    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774   -1.7085    0.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137    0.5187    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784    0.5155    0.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -0.9096   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4439    0.6742    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5933    0.6611   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186   -0.1582   -1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6623   -1.6981   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809    1.4599   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5777    1.4033    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -0.3881    1.4093 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