2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride

C10H21ClO4S — CID 65012932

IUPAC2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride
SMILESCCOCCOCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C10H21ClO4S/c1-4-14-5-6-15-7-10(9(2)3)8-16(11,12)13/h9-10H,4-8H2,1-3H3
InChIKeyASDDWKJATSUVTE-UHFFFAOYSA-N
MW272.79 g/mol
LogP1.88
Rot. Bonds9

About 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride

2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride (PubChem CID 65012932) has the molecular formula C10H21ClO4S and a molecular weight of 272.79 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride
PubChem CID65012932
Molecular FormulaC10H21ClO4S
Molecular Weight272.79 g/mol
Exact Mass272.08
IUPAC Name2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride
SMILESCCOCCOCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C10H21ClO4S/c1-4-14-5-6-15-7-10(9(2)3)8-16(11,12)13/h9-10H,4-8H2,1-3H3
InChIKeyASDDWKJATSUVTE-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride (CID 65012932) is 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride is CCOCCOCC(CS(=O)(=O)Cl)C(C)C.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride?
The InChIKey is ASDDWKJATSUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4S/c1-4-14-5-6-15-7-10(9(2)3)8-16(11,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride?
2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride has a molecular weight of 272.79 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-3-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 65012932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).