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
    2.4307    0.7101    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    0.1545    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618   -1.2727    0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758   -1.1543   -0.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847   -0.1698    0.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546    0.8223    0.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163    0.5028    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060    1.7391    1.4029 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404    1.3843   -1.3023 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637   -0.5944   -0.0454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5337    1.7720    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    0.1280    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9754   -1.7551    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714   -1.7820   -0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046   -0.4848    1.7949 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