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
    2.3406   -0.8704    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -0.2419    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392    1.2109    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476    1.2244    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    0.1766   -0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673   -0.8504   -0.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -0.3731   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4822    0.8996   -0.0687 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0890   -0.9911    1.6141 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687   -1.6878   -1.1024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3609   -1.9487    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -0.3490    0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    1.7559    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    1.6980   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    0.3469   -1.6174 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