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
    2.2583    1.0944   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818    0.4202    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -1.0419    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -1.2708   -0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -0.2052    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791    0.9230    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    0.1014   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815    0.5308   -1.9098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854    1.4482    0.5657 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319   -1.3814   -0.1354 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2810    2.1421   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605    0.5334   -0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740   -1.6254   -0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922   -1.2474    1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -0.4213    1.5515 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