3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride

C11H23ClO4S — CID 65012683

IUPAC3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride
SMILESCCCOCCOCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C11H23ClO4S/c1-4-5-15-6-7-16-8-11(10(2)3)9-17(12,13)14/h10-11H,4-9H2,1-3H3
InChIKeyIGMJMNYSPYHRQT-UHFFFAOYSA-N
MW286.82 g/mol
LogP2.27
Rot. Bonds10

About 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride

3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride (PubChem CID 65012683) has the molecular formula C11H23ClO4S and a molecular weight of 286.82 g/mol. Its IUPAC name is 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride
PubChem CID65012683
Molecular FormulaC11H23ClO4S
Molecular Weight286.82 g/mol
Exact Mass286.10
IUPAC Name3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride
SMILESCCCOCCOCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C11H23ClO4S/c1-4-5-15-6-7-16-8-11(10(2)3)9-17(12,13)14/h10-11H,4-9H2,1-3H3
InChIKeyIGMJMNYSPYHRQT-UHFFFAOYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 52.27
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 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride?
The IUPAC name of 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride (CID 65012683) is 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride is CCCOCCOCC(CS(=O)(=O)Cl)C(C)C.
What is the InChIKey of 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride?
The InChIKey is IGMJMNYSPYHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO4S/c1-4-5-15-6-7-16-8-11(10(2)3)9-17(12,13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride?
3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride has a molecular weight of 286.82 g/mol, XLogP of 2.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-propoxyethoxymethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 65012683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).