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
    2.4244    0.7435   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415    0.2245   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9130   -1.1574    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -0.8884    0.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592   -0.1457   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    0.8222   -0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088    0.5183    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    1.6134    1.6711 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    1.3077   -0.9811 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2587   -0.7716    0.9979 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    0.1427   -0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    1.7430   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.5445    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021   -1.7643   -0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671   -0.8436   -1.0025 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