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
2.1607 -0.5576 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1623 -0.0292 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 1.3637 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6802 1.2980 -0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8700 0.1229 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.5905 -0.9352 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8468 -0.7376 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3913 0.1185 0.0284 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1825 -1.1130 1.4461 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1437 -2.2892 -0.9822 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 -0.0416 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4291 -1.5784 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6644 1.6966 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2447 2.0923 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2512 0.2451 -1.9878 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