4-propan-2-ylsulfonyloxane

C8H16O3S — CID 89398364

IUPAC4-propan-2-ylsulfonyloxane
SMILESCC(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H16O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyZGIQUBZLMSVILN-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds2

About 4-propan-2-ylsulfonyloxane

4-propan-2-ylsulfonyloxane (PubChem CID 89398364) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-propan-2-ylsulfonyloxane.

Molecular Properties

Compound Name4-propan-2-ylsulfonyloxane
PubChem CID89398364
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-propan-2-ylsulfonyloxane
SMILESCC(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H16O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyZGIQUBZLMSVILN-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonyloxane?
The IUPAC name of 4-propan-2-ylsulfonyloxane (CID 89398364) is 4-propan-2-ylsulfonyloxane.
What is the SMILES notation for 4-propan-2-ylsulfonyloxane?
The canonical SMILES for 4-propan-2-ylsulfonyloxane is CC(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-propan-2-ylsulfonyloxane?
The InChIKey is ZGIQUBZLMSVILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfonyloxane?
4-propan-2-ylsulfonyloxane has a molecular weight of 192.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonyloxane is sourced from PubChem (CID 89398364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).