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
    2.5451    0.5554    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2606    0.2357    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -1.1007   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -0.8518   -0.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    0.3935   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491    1.0319    0.3116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1278    0.2557    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -0.5664   -0.2131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588   -0.8111    2.0163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255    1.8210    1.2481 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2831   -0.2057   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    1.5347    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -1.7104    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2614   -1.5657   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    0.9839   -1.1749 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