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
    2.3765    1.0182    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    0.4547   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188   -0.8025   -0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -0.8187   -0.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.2762    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563    0.9014    0.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222    0.0374    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -1.4817    0.1668 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.7150    2.0216 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8717    1.1883   -0.8306 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    1.9385    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    0.5343   -0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3044   -1.6741   -0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956   -0.8119   -1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511   -0.9230    1.0950 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