bis(2-chlorooxy-2-oxoethyl) oxalate

C6H4Cl2O8 — CID 174369244

IUPACbis(2-chlorooxy-2-oxoethyl) oxalate
SMILESO=C(COC(=O)C(=O)OCC(=O)OCl)OCl
InChIInChI=1S/C6H4Cl2O8/c7-15-3(9)1-13-5(11)6(12)14-2-4(10)16-8/h1-2H2
InChIKeyLPZIHKWAAYBPIG-UHFFFAOYSA-N
MW275.00 g/mol
LogP-0.53
Rot. Bonds4

About bis(2-chlorooxy-2-oxoethyl) oxalate

bis(2-chlorooxy-2-oxoethyl) oxalate (PubChem CID 174369244) has the molecular formula C6H4Cl2O8 and a molecular weight of 275.00 g/mol. Its IUPAC name is bis(2-chlorooxy-2-oxoethyl) oxalate.

Molecular Properties

Compound Namebis(2-chlorooxy-2-oxoethyl) oxalate
PubChem CID174369244
Molecular FormulaC6H4Cl2O8
Molecular Weight275.00 g/mol
Exact Mass273.93
IUPAC Namebis(2-chlorooxy-2-oxoethyl) oxalate
SMILESO=C(COC(=O)C(=O)OCC(=O)OCl)OCl
InChIInChI=1S/C6H4Cl2O8/c7-15-3(9)1-13-5(11)6(12)14-2-4(10)16-8/h1-2H2
InChIKeyLPZIHKWAAYBPIG-UHFFFAOYSA-N
XLogP-0.53
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.00
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 174663738
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chloro 3-chloro-3-oxopropanoate
CID 141429738
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
chloro butanoate;silver
CID 175006777
4-chlorooxy-2,4-dioxobutanoic acid
CID 174309447
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
4-O-chloro 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 140816543
4-O-(2-methoxy-2-oxoethyl) 1-O-methyl (E)-2,3-dibromobut-2-enedioate
CID 11024798
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400

Frequently Asked Questions

What is the IUPAC name of bis(2-chlorooxy-2-oxoethyl) oxalate?
The IUPAC name of bis(2-chlorooxy-2-oxoethyl) oxalate (CID 174369244) is bis(2-chlorooxy-2-oxoethyl) oxalate.
What is the SMILES notation for bis(2-chlorooxy-2-oxoethyl) oxalate?
The canonical SMILES for bis(2-chlorooxy-2-oxoethyl) oxalate is O=C(COC(=O)C(=O)OCC(=O)OCl)OCl.
What is the InChIKey of bis(2-chlorooxy-2-oxoethyl) oxalate?
The InChIKey is LPZIHKWAAYBPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O8/c7-15-3(9)1-13-5(11)6(12)14-2-4(10)16-8/h1-2H2.
What are the key properties of bis(2-chlorooxy-2-oxoethyl) oxalate?
bis(2-chlorooxy-2-oxoethyl) oxalate has a molecular weight of 275.00 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorooxy-2-oxoethyl) oxalate is sourced from PubChem (CID 174369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).