2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate

C10H17NO6S — CID 82531547

IUPAC2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate
SMILESCCOCCOCCOC(=O)CS(=O)(=O)CC#N
InChIInChI=1S/C10H17NO6S/c1-2-15-4-5-16-6-7-17-10(12)9-18(13,14)8-3-11/h2,4-9H2,1H3
InChIKeyLCWANZZKTHDGSA-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.48
Rot. Bonds10

About 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate

2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate (PubChem CID 82531547) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate
PubChem CID82531547
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate
SMILESCCOCCOCCOC(=O)CS(=O)(=O)CC#N
InChIInChI=1S/C10H17NO6S/c1-2-15-4-5-16-6-7-17-10(12)9-18(13,14)8-3-11/h2,4-9H2,1H3
InChIKeyLCWANZZKTHDGSA-UHFFFAOYSA-N
XLogP-0.48
TPSA102.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate (CID 82531547) is 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate is CCOCCOCCOC(=O)CS(=O)(=O)CC#N.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate?
The InChIKey is LCWANZZKTHDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-2-15-4-5-16-6-7-17-10(12)9-18(13,14)8-3-11/h2,4-9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate?
2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate has a molecular weight of 279.31 g/mol, XLogP of -0.48, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-(cyanomethylsulfonyl)acetate is sourced from PubChem (CID 82531547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).