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
2.3748 0.4878 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2039 0.1621 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7426 -1.1503 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4115 -0.9393 -1.0212 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 0.3206 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 1.0201 -0.0292 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1132 0.3344 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7771 -0.4323 1.6554 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5739 2.0449 0.3082 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4093 -0.5875 -0.7034 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1369 -0.2463 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5930 1.5010 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4425 -1.7531 0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 -1.6334 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9972 0.8715 -1.7072 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