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
   -2.9293   -0.1852    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.3063    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    1.4626    0.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -0.4906   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8755    0.3001    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692    1.4684    0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961   -0.2664   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738    0.4335    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -1.0112   -0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -0.5755    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103    0.6421   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -0.7827   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390   -1.4682    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816   -1.2744   -0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    1.4365    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    0.0046    0.0534 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