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
    2.0695    0.8345    1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    0.0996    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452   -0.8485   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283   -0.6889   -1.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -0.5401   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    0.0307    0.9934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0957    0.4401   -0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    2.0419   -0.7852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1136    0.5928    1.0540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0495   -0.2531   -1.7155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0444    0.7763    0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.4962    1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441   -0.5856   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2495   -1.8817   -0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -1.5145    0.1961 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