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
   -2.9034    0.1942    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490   -0.0448   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -0.3676   -1.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    0.1179    0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9041   -0.1487   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -0.4839   -1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -0.0146    0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.2460    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535    0.6747    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4428    0.9144   -0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603   -0.7601    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608    1.1708    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4328   -0.5965    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    0.2692    1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866   -0.1464    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -0.5324   -0.9129 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