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
    1.8468    1.4066   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169    0.4214   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.4447   -1.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   -0.9059   -0.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -0.8201    0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -0.0191    0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -0.2359    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0400   -1.2013    1.4233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -0.3157    3.1692 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    1.4567    1.1006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    1.9528   -0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426    1.6717   -1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955   -1.2606   -1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    0.1169   -2.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2164   -1.8227    1.0414 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