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
-2.5180 0.4678 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2725 0.1328 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7648 -1.2124 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5235 -1.1810 -0.0889 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9639 0.0739 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 0.9264 0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1584 0.5402 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6271 2.1448 0.1283 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5357 -0.5678 -0.3058 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6628 0.6892 -2.1967 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2687 -0.2935 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6851 1.4895 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -1.2202 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3757 -2.0343 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1879 0.0446 1.3938 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