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
2.0609 0.2890 1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 -0.2340 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0601 -0.4730 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 -0.0382 -1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0374 -0.4840 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1568 -0.7061 0.7697 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 0.5858 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1010 2.0077 0.7122 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8935 -0.0941 1.5200 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1720 1.0241 -1.1142 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 0.4336 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9608 0.5926 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 -1.5852 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8255 0.0699 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5631 -1.3882 -0.6361 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