2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate

C8H12Cl2O6S — CID 25113253

IUPAC2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCS(=O)(=O)CCOC(=O)CCl
InChIInChI=1S/C8H12Cl2O6S/c9-5-7(11)15-1-3-17(13,14)4-2-16-8(12)6-10/h1-6H2
InChIKeyOBDHBPWKQAIDSF-UHFFFAOYSA-N
MW307.15 g/mol
LogP-0.03
Rot. Bonds8

About 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate

2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate (PubChem CID 25113253) has the molecular formula C8H12Cl2O6S and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate
PubChem CID25113253
Molecular FormulaC8H12Cl2O6S
Molecular Weight307.15 g/mol
Exact Mass305.97
IUPAC Name2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCS(=O)(=O)CCOC(=O)CCl
InChIInChI=1S/C8H12Cl2O6S/c9-5-7(11)15-1-3-17(13,14)4-2-16-8(12)6-10/h1-6H2
InChIKeyOBDHBPWKQAIDSF-UHFFFAOYSA-N
XLogP-0.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate?
The IUPAC name of 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate (CID 25113253) is 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate?
The canonical SMILES for 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate is O=C(CCl)OCCS(=O)(=O)CCOC(=O)CCl.
What is the InChIKey of 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate?
The InChIKey is OBDHBPWKQAIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O6S/c9-5-7(11)15-1-3-17(13,14)4-2-16-8(12)6-10/h1-6H2.
What are the key properties of 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate?
2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate has a molecular weight of 307.15 g/mol, XLogP of -0.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate is sourced from PubChem (CID 25113253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).