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
2.3765 1.0182 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2051 0.4547 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 -0.8025 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4813 -0.8187 -0.9216 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8625 -0.2762 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 0.9014 0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3222 0.0374 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2201 -1.4817 0.1668 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5969 0.7150 2.0216 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8717 1.1883 -0.8306 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 1.9385 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2511 0.5343 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3044 -1.6741 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3956 -0.8119 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 -0.9230 1.0950 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