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
    2.5452   -0.5794   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2907   -0.1631   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.0118    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    0.5617    0.9567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848    0.1468   -0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -0.7384   -0.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146   -0.5621   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272    0.6163    0.2462 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902   -1.9065    0.7990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604   -1.0686   -1.9713 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2848   -0.0140    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562   -1.4355   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505    1.8356    0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    1.2481    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796    1.0473   -0.9800 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