3,3-dimethylbutoxysulfonyloxidanium

C6H15O4S+ — CID 59123265

IUPAC3,3-dimethylbutoxysulfonyloxidanium
SMILESCC(C)(C)CCOS(=O)(=O)[OH2+]
InChIInChI=1S/C6H14O4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H,7,8,9)/p+1
InChIKeyKOLPSYGFTWHNJZ-UHFFFAOYSA-O
MW183.25 g/mol
LogP0.41
Rot. Bonds3

About 3,3-dimethylbutoxysulfonyloxidanium

3,3-dimethylbutoxysulfonyloxidanium (PubChem CID 59123265) has the molecular formula C6H15O4S+ and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3-dimethylbutoxysulfonyloxidanium.

Molecular Properties

Compound Name3,3-dimethylbutoxysulfonyloxidanium
PubChem CID59123265
Molecular FormulaC6H15O4S+
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name3,3-dimethylbutoxysulfonyloxidanium
SMILESCC(C)(C)CCOS(=O)(=O)[OH2+]
InChIInChI=1S/C6H14O4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H,7,8,9)/p+1
InChIKeyKOLPSYGFTWHNJZ-UHFFFAOYSA-O
XLogP0.41
TPSA66.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutoxysulfonyloxidanium?
The IUPAC name of 3,3-dimethylbutoxysulfonyloxidanium (CID 59123265) is 3,3-dimethylbutoxysulfonyloxidanium.
What is the SMILES notation for 3,3-dimethylbutoxysulfonyloxidanium?
The canonical SMILES for 3,3-dimethylbutoxysulfonyloxidanium is CC(C)(C)CCOS(=O)(=O)[OH2+].
What is the InChIKey of 3,3-dimethylbutoxysulfonyloxidanium?
The InChIKey is KOLPSYGFTWHNJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14O4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H,7,8,9)/p+1.
What are the key properties of 3,3-dimethylbutoxysulfonyloxidanium?
3,3-dimethylbutoxysulfonyloxidanium has a molecular weight of 183.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutoxysulfonyloxidanium is sourced from PubChem (CID 59123265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).