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
    2.4397    0.1543    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559    0.1157    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839    0.8571   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5752    0.9743   -0.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485   -0.3698   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228   -0.6110    0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545   -0.5431    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088    0.4587    1.6305 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -2.2731    0.5514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.1151   -1.0206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    0.7681    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6626   -0.4221    1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.1616   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    1.8167   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6153   -0.9724   -1.2311 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