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
    2.0373    1.1506   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722    0.2435   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -1.1134    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055   -1.4728    0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171   -0.5043   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    0.3785   -1.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455    0.2853    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    1.4862   -0.6328 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    1.1938    1.6485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2023   -0.7315    1.1424 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    2.1074   -0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.8947    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141   -1.1849    1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6364   -1.7685   -0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -0.9647   -1.2811 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