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
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
2.5052 0.7585 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2769 0.2813 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8593 -1.0124 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 -0.8631 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 -0.1401 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 0.8869 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 0.3708 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5667 1.4363 1.0948 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7181 1.1438 -1.8315 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3832 -1.0272 -0.1148 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6688 1.7150 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3739 0.2145 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3058 -1.1330 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0247 -1.8607 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7375 -0.7707 -1.2129 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