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
    2.3936    0.5141    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    0.1253    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -0.1404   -1.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.1605   -1.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -0.4760   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.1239    0.9437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791    0.0402    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1213    1.7926    0.6298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876   -0.1672   -1.0295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.8096    1.7677 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    0.6606    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2801    0.6881    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363   -1.2109   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    0.4928   -1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9514   -1.5464   -0.2421 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