4-(2-methylbutan-2-ylsulfonyl)oxane

C10H20O3S — CID 66695303

IUPAC4-(2-methylbutan-2-ylsulfonyl)oxane
SMILESCCC(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)9-5-7-13-8-6-9/h9H,4-8H2,1-3H3
InChIKeyIINDNZONPOSLLL-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.77
Rot. Bonds3

About 4-(2-methylbutan-2-ylsulfonyl)oxane

4-(2-methylbutan-2-ylsulfonyl)oxane (PubChem CID 66695303) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylsulfonyl)oxane.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylsulfonyl)oxane
PubChem CID66695303
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-(2-methylbutan-2-ylsulfonyl)oxane
SMILESCCC(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)9-5-7-13-8-6-9/h9H,4-8H2,1-3H3
InChIKeyIINDNZONPOSLLL-UHFFFAOYSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylsulfonyl)oxane?
The IUPAC name of 4-(2-methylbutan-2-ylsulfonyl)oxane (CID 66695303) is 4-(2-methylbutan-2-ylsulfonyl)oxane.
What is the SMILES notation for 4-(2-methylbutan-2-ylsulfonyl)oxane?
The canonical SMILES for 4-(2-methylbutan-2-ylsulfonyl)oxane is CCC(C)(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-(2-methylbutan-2-ylsulfonyl)oxane?
The InChIKey is IINDNZONPOSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)9-5-7-13-8-6-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-ylsulfonyl)oxane?
4-(2-methylbutan-2-ylsulfonyl)oxane has a molecular weight of 220.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylsulfonyl)oxane is sourced from PubChem (CID 66695303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).