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
    2.3249    0.7415    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806    0.2880   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512   -1.1339   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057   -1.1933   -0.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021    0.0692   -0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308    0.9940   -0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969    0.3115    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    0.1131    1.9751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    1.9409    0.2193 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4294   -0.8373    0.1056 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1143    0.0420    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458    1.7814    0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0927   -1.7750    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -1.5339   -1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888    0.1918   -1.6986 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