2,2-dichloroethyl ethenyl carbonate

C5H6Cl2O3 — CID 87127894

IUPAC2,2-dichloroethyl ethenyl carbonate
SMILESC=COC(=O)OCC(Cl)Cl
InChIInChI=1S/C5H6Cl2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2
InChIKeyBLJUAEVUKTVQPA-UHFFFAOYSA-N
MW185.01 g/mol
LogP2.09
Rot. Bonds3

About 2,2-dichloroethyl ethenyl carbonate

2,2-dichloroethyl ethenyl carbonate (PubChem CID 87127894) has the molecular formula C5H6Cl2O3 and a molecular weight of 185.01 g/mol. Its IUPAC name is 2,2-dichloroethyl ethenyl carbonate.

Molecular Properties

Compound Name2,2-dichloroethyl ethenyl carbonate
PubChem CID87127894
Molecular FormulaC5H6Cl2O3
Molecular Weight185.01 g/mol
Exact Mass183.97
IUPAC Name2,2-dichloroethyl ethenyl carbonate
SMILESC=COC(=O)OCC(Cl)Cl
InChIInChI=1S/C5H6Cl2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2
InChIKeyBLJUAEVUKTVQPA-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 52.09
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 2,2-dichloroethyl ethenyl carbonate?
The IUPAC name of 2,2-dichloroethyl ethenyl carbonate (CID 87127894) is 2,2-dichloroethyl ethenyl carbonate.
What is the SMILES notation for 2,2-dichloroethyl ethenyl carbonate?
The canonical SMILES for 2,2-dichloroethyl ethenyl carbonate is C=COC(=O)OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethyl ethenyl carbonate?
The InChIKey is BLJUAEVUKTVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2.
What are the key properties of 2,2-dichloroethyl ethenyl carbonate?
2,2-dichloroethyl ethenyl carbonate has a molecular weight of 185.01 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethyl ethenyl carbonate is sourced from PubChem (CID 87127894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).