[4-(2-methylsulfonylethyl)oxan-4-yl]methanol

C9H18O4S — CID 66025184

IUPAC[4-(2-methylsulfonylethyl)oxan-4-yl]methanol
SMILESCS(=O)(=O)CCC1(CO)CCOCC1
InChIInChI=1S/C9H18O4S/c1-14(11,12)7-4-9(8-10)2-5-13-6-3-9/h10H,2-8H2,1H3
InChIKeyJWAUVAMLLOFCCS-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.21
Rot. Bonds4

About [4-(2-methylsulfonylethyl)oxan-4-yl]methanol

[4-(2-methylsulfonylethyl)oxan-4-yl]methanol (PubChem CID 66025184) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is [4-(2-methylsulfonylethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylsulfonylethyl)oxan-4-yl]methanol
PubChem CID66025184
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name[4-(2-methylsulfonylethyl)oxan-4-yl]methanol
SMILESCS(=O)(=O)CCC1(CO)CCOCC1
InChIInChI=1S/C9H18O4S/c1-14(11,12)7-4-9(8-10)2-5-13-6-3-9/h10H,2-8H2,1H3
InChIKeyJWAUVAMLLOFCCS-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.21
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-yl]methanol?
The IUPAC name of [4-(2-methylsulfonylethyl)oxan-4-yl]methanol (CID 66025184) is [4-(2-methylsulfonylethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-methylsulfonylethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-methylsulfonylethyl)oxan-4-yl]methanol is CS(=O)(=O)CCC1(CO)CCOCC1.
What is the InChIKey of [4-(2-methylsulfonylethyl)oxan-4-yl]methanol?
The InChIKey is JWAUVAMLLOFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-14(11,12)7-4-9(8-10)2-5-13-6-3-9/h10H,2-8H2,1H3.
What are the key properties of [4-(2-methylsulfonylethyl)oxan-4-yl]methanol?
[4-(2-methylsulfonylethyl)oxan-4-yl]methanol has a molecular weight of 222.31 g/mol, XLogP of 0.21, 4 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-yl]methanol is sourced from PubChem (CID 66025184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).