3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride

C11H23ClO6S — CID 104567582

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
SMILESCOCCOCCOCCOCC(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H23ClO6S/c1-11(10-19(12,13)14)9-18-8-7-17-6-5-16-4-3-15-2/h11H,3-10H2,1-2H3
InChIKeySLMHKQPCURVIMX-UHFFFAOYSA-N
MW318.82 g/mol
LogP0.89
Rot. Bonds13

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride (PubChem CID 104567582) has the molecular formula C11H23ClO6S and a molecular weight of 318.82 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
PubChem CID104567582
Molecular FormulaC11H23ClO6S
Molecular Weight318.82 g/mol
Exact Mass318.09
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
SMILESCOCCOCCOCCOCC(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H23ClO6S/c1-11(10-19(12,13)14)9-18-8-7-17-6-5-16-4-3-15-2/h11H,3-10H2,1-2H3
InChIKeySLMHKQPCURVIMX-UHFFFAOYSA-N
XLogP0.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
CID 103407365
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
CID 165499020
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
CID 113427535
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride (CID 104567582) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride is COCCOCCOCCOCC(C)CS(=O)(=O)Cl.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride?
The InChIKey is SLMHKQPCURVIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO6S/c1-11(10-19(12,13)14)9-18-8-7-17-6-5-16-4-3-15-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride has a molecular weight of 318.82 g/mol, XLogP of 0.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 104567582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).