4-(2-methylsulfonylethyl)oxan-4-ol

C8H16O4S — CID 65145669

IUPAC4-(2-methylsulfonylethyl)oxan-4-ol
SMILESCS(=O)(=O)CCC1(O)CCOCC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)7-4-8(9)2-5-12-6-3-8/h9H,2-7H2,1H3
InChIKeyDTANEPQDRJWQJE-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.04
Rot. Bonds3

About 4-(2-methylsulfonylethyl)oxan-4-ol

4-(2-methylsulfonylethyl)oxan-4-ol (PubChem CID 65145669) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)oxan-4-ol
PubChem CID65145669
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name4-(2-methylsulfonylethyl)oxan-4-ol
SMILESCS(=O)(=O)CCC1(O)CCOCC1
InChIInChI=1S/C8H16O4S/c1-13(10,11)7-4-8(9)2-5-12-6-3-8/h9H,2-7H2,1H3
InChIKeyDTANEPQDRJWQJE-UHFFFAOYSA-N
XLogP-0.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)oxan-4-ol?
The IUPAC name of 4-(2-methylsulfonylethyl)oxan-4-ol (CID 65145669) is 4-(2-methylsulfonylethyl)oxan-4-ol.
What is the SMILES notation for 4-(2-methylsulfonylethyl)oxan-4-ol?
The canonical SMILES for 4-(2-methylsulfonylethyl)oxan-4-ol is CS(=O)(=O)CCC1(O)CCOCC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)oxan-4-ol?
The InChIKey is DTANEPQDRJWQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-13(10,11)7-4-8(9)2-5-12-6-3-8/h9H,2-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)oxan-4-ol?
4-(2-methylsulfonylethyl)oxan-4-ol has a molecular weight of 208.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)oxan-4-ol is sourced from PubChem (CID 65145669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).