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
    2.3748    0.4878    0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    0.1621    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -1.1503   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115   -0.9393   -1.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.3206   -0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342    1.0201   -0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    0.3344    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771   -0.4323    1.6554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5739    2.0449    0.3082 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4093   -0.5875   -0.7034 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1369   -0.2463    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    1.5010    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -1.7531    0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252   -1.6334   -0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    0.8715   -1.7072 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