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
-1.9081 1.5793 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0874 0.5434 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2474 -0.7596 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0636 -1.0155 0.8748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8003 -0.7187 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1370 0.4110 -0.8617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 -0.2232 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1298 -1.4107 0.9766 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.0295 0.0321 -1.4989 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1181 1.3217 0.9392 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 2.4952 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8293 1.5239 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9408 -0.6794 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5510 -1.5245 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8094 -1.5747 -0.9426 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