4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane

C13H26O3S — CID 58201699

IUPAC4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane
SMILESCC(C)C(C)(C)S(=O)(=O)CCC1CCOCC1
InChIInChI=1S/C13H26O3S/c1-11(2)13(3,4)17(14,15)10-7-12-5-8-16-9-6-12/h11-12H,5-10H2,1-4H3
InChIKeyVORYDKRVRWFDRV-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane

4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane (PubChem CID 58201699) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane.

Molecular Properties

Compound Name4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane
PubChem CID58201699
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane
SMILESCC(C)C(C)(C)S(=O)(=O)CCC1CCOCC1
InChIInChI=1S/C13H26O3S/c1-11(2)13(3,4)17(14,15)10-7-12-5-8-16-9-6-12/h11-12H,5-10H2,1-4H3
InChIKeyVORYDKRVRWFDRV-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane?
The IUPAC name of 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane (CID 58201699) is 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane.
What is the SMILES notation for 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane?
The canonical SMILES for 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane is CC(C)C(C)(C)S(=O)(=O)CCC1CCOCC1.
What is the InChIKey of 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane?
The InChIKey is VORYDKRVRWFDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-11(2)13(3,4)17(14,15)10-7-12-5-8-16-9-6-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane?
4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane has a molecular weight of 262.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxane is sourced from PubChem (CID 58201699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).