ethenyl 1,2,2-trichloroethyl carbonate

C5H5Cl3O3 — CID 175405013

IUPACethenyl 1,2,2-trichloroethyl carbonate
SMILESC=COC(=O)OC(Cl)C(Cl)Cl
InChIInChI=1S/C5H5Cl3O3/c1-2-10-5(9)11-4(8)3(6)7/h2-4H,1H2
InChIKeyRDDUEQUSPZXPTQ-UHFFFAOYSA-N
MW219.45 g/mol
LogP2.65
Rot. Bonds3

About ethenyl 1,2,2-trichloroethyl carbonate

ethenyl 1,2,2-trichloroethyl carbonate (PubChem CID 175405013) has the molecular formula C5H5Cl3O3 and a molecular weight of 219.45 g/mol. Its IUPAC name is ethenyl 1,2,2-trichloroethyl carbonate.

Molecular Properties

Compound Nameethenyl 1,2,2-trichloroethyl carbonate
PubChem CID175405013
Molecular FormulaC5H5Cl3O3
Molecular Weight219.45 g/mol
Exact Mass217.93
IUPAC Nameethenyl 1,2,2-trichloroethyl carbonate
SMILESC=COC(=O)OC(Cl)C(Cl)Cl
InChIInChI=1S/C5H5Cl3O3/c1-2-10-5(9)11-4(8)3(6)7/h2-4H,1H2
InChIKeyRDDUEQUSPZXPTQ-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 1,2,2-trichloroethyl carbonate?
The IUPAC name of ethenyl 1,2,2-trichloroethyl carbonate (CID 175405013) is ethenyl 1,2,2-trichloroethyl carbonate.
What is the SMILES notation for ethenyl 1,2,2-trichloroethyl carbonate?
The canonical SMILES for ethenyl 1,2,2-trichloroethyl carbonate is C=COC(=O)OC(Cl)C(Cl)Cl.
What is the InChIKey of ethenyl 1,2,2-trichloroethyl carbonate?
The InChIKey is RDDUEQUSPZXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3O3/c1-2-10-5(9)11-4(8)3(6)7/h2-4H,1H2.
What are the key properties of ethenyl 1,2,2-trichloroethyl carbonate?
ethenyl 1,2,2-trichloroethyl carbonate has a molecular weight of 219.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1,2,2-trichloroethyl carbonate is sourced from PubChem (CID 175405013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).