4-(oxan-4-ylsulfonyl)oxane

C10H18O4S — CID 147735829

IUPAC4-(oxan-4-ylsulfonyl)oxane
SMILESO=S(=O)(C1CCOCC1)C1CCOCC1
InChIInChI=1S/C10H18O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h9-10H,1-8H2
InChIKeyHCSULHDANVABLF-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.76
Rot. Bonds2

About 4-(oxan-4-ylsulfonyl)oxane

4-(oxan-4-ylsulfonyl)oxane (PubChem CID 147735829) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfonyl)oxane.

Molecular Properties

Compound Name4-(oxan-4-ylsulfonyl)oxane
PubChem CID147735829
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-(oxan-4-ylsulfonyl)oxane
SMILESO=S(=O)(C1CCOCC1)C1CCOCC1
InChIInChI=1S/C10H18O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h9-10H,1-8H2
InChIKeyHCSULHDANVABLF-UHFFFAOYSA-N
XLogP0.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfonyl)oxane?
The IUPAC name of 4-(oxan-4-ylsulfonyl)oxane (CID 147735829) is 4-(oxan-4-ylsulfonyl)oxane.
What is the SMILES notation for 4-(oxan-4-ylsulfonyl)oxane?
The canonical SMILES for 4-(oxan-4-ylsulfonyl)oxane is O=S(=O)(C1CCOCC1)C1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfonyl)oxane?
The InChIKey is HCSULHDANVABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h9-10H,1-8H2.
What are the key properties of 4-(oxan-4-ylsulfonyl)oxane?
4-(oxan-4-ylsulfonyl)oxane has a molecular weight of 234.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfonyl)oxane is sourced from PubChem (CID 147735829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).