Monomers

1,3-Dioxolane, 4-methylene-2-(trichloromethyl)-

Identifiers

IUPAC name
4-methylidene-2-(trichloromethyl)-1,3-dioxolane
InchI
InChI=1S/C5H5Cl3O2/c1-3-2-9-4(10-3)5(6,7)8/h4H,1-2H2
InchI Key
DNYTXTXOQMZXOZ-UHFFFAOYSA-N
SMILES
C=C1COC(O1)C(Cl)(Cl)Cl
Canonical SMILES
C=C1COC(O1)C(Cl)(Cl)Cl
Isomeric SMILES
C=C1COC(O1)C(Cl)(Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5Cl3O2
Heavy Atom Count
10
Molecular Weight
203.452
Exact Molecular Weight
201.9355
Valence Electrons
58
Radical Electrons
0
tPSA
18.46
MolLogP
2.2432
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.5234    0.5345    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    0.1335    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951   -1.1205   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979   -1.1954    0.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230    0.1320   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    0.8529    0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562    0.3965    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5013   -0.7060   -0.1913 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973    2.0790    0.0904 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856    0.1839    2.1909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7937    1.4661    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158   -0.1265   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027   -1.9949   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   -0.9511   -1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    0.3160   -1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  6  2  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers