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
    2.3879    0.4328    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281   -0.6368   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825   -1.4921   -0.8953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -0.8395   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6155    0.1189   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3118    1.1209    0.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0384   -0.0771   -0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9632    0.7454    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541    1.4374    0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237    0.1552    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4495    0.5318    0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -0.8659   -1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -1.8726   -0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439   -0.9153   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9997    0.5816   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6383    1.5753    0.7315 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