2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride

C12H25ClO5S — CID 113427535

IUPAC2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
SMILESCCC(CC)(COCCOCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO5S/c1-4-12(5-2,11-19(13,14)15)10-18-9-8-17-7-6-16-3/h4-11H2,1-3H3
InChIKeyBUFHDDOEXIMWEQ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.04
Rot. Bonds12

About 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride

2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride (PubChem CID 113427535) has the molecular formula C12H25ClO5S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
PubChem CID113427535
Molecular FormulaC12H25ClO5S
Molecular Weight316.85 g/mol
Exact Mass316.11
IUPAC Name2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
SMILESCCC(CC)(COCCOCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO5S/c1-4-12(5-2,11-19(13,14)15)10-18-9-8-17-7-6-16-3/h4-11H2,1-3H3
InChIKeyBUFHDDOEXIMWEQ-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
CID 103407379
2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 65005056
2-(3-methylbutoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 65005057
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
[2-[2-(2-methoxyethoxy)ethoxymethyl]-2-(3-oxobutanoyloxymethyl)butyl] 3-oxobutanoate
CID 162501249
[2-(2-methoxyethoxymethyl)-2-(3-oxobutanoyloxymethyl)butyl] 3-oxobutanoate
CID 162501245
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 114158126
2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride
CID 65003827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride?
The IUPAC name of 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride (CID 113427535) is 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride?
The canonical SMILES for 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride is CCC(CC)(COCCOCCOC)CS(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride?
The InChIKey is BUFHDDOEXIMWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO5S/c1-4-12(5-2,11-19(13,14)15)10-18-9-8-17-7-6-16-3/h4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride?
2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride has a molecular weight of 316.85 g/mol, XLogP of 2.04, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride is sourced from PubChem (CID 113427535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).