2-tert-butylsulfonyloxane

C9H18O3S — CID 66634386

IUPAC2-tert-butylsulfonyloxane
SMILESCC(C)(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)8-6-4-5-7-12-8/h8H,4-7H2,1-3H3
InChIKeyXJQBQHCGDSMDSX-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.73
Rot. Bonds1

About 2-tert-butylsulfonyloxane

2-tert-butylsulfonyloxane (PubChem CID 66634386) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-tert-butylsulfonyloxane.

Molecular Properties

Compound Name2-tert-butylsulfonyloxane
PubChem CID66634386
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-tert-butylsulfonyloxane
SMILESCC(C)(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)8-6-4-5-7-12-8/h8H,4-7H2,1-3H3
InChIKeyXJQBQHCGDSMDSX-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyloxane?
The IUPAC name of 2-tert-butylsulfonyloxane (CID 66634386) is 2-tert-butylsulfonyloxane.
What is the SMILES notation for 2-tert-butylsulfonyloxane?
The canonical SMILES for 2-tert-butylsulfonyloxane is CC(C)(C)S(=O)(=O)C1CCCCO1.
What is the InChIKey of 2-tert-butylsulfonyloxane?
The InChIKey is XJQBQHCGDSMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,3)13(10,11)8-6-4-5-7-12-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyloxane?
2-tert-butylsulfonyloxane has a molecular weight of 206.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyloxane is sourced from PubChem (CID 66634386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).