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
    2.2981    0.8153    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749    0.2177   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7572   -1.1556    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -1.4049   -0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9514   -0.2083   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    0.6807   -0.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158    0.3396    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6088    1.8727   -0.5641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2876    0.7062    1.7123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3622   -0.7730    0.2797 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    1.8115   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0522    0.3637    0.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838   -1.8256    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -1.0948    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3874   -0.3453   -1.8101 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