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

C10H20O4S — CID 66023870

IUPAC[4-(2-ethylsulfonylethyl)oxan-4-yl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCOCC1
InChIInChI=1S/C10H20O4S/c1-2-15(12,13)8-5-10(9-11)3-6-14-7-4-10/h11H,2-9H2,1H3
InChIKeyJQOHXNKAFLPGNA-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.60
Rot. Bonds5

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

[4-(2-ethylsulfonylethyl)oxan-4-yl]methanol (PubChem CID 66023870) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-ethylsulfonylethyl)oxan-4-yl]methanol
PubChem CID66023870
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name[4-(2-ethylsulfonylethyl)oxan-4-yl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCOCC1
InChIInChI=1S/C10H20O4S/c1-2-15(12,13)8-5-10(9-11)3-6-14-7-4-10/h11H,2-9H2,1H3
InChIKeyJQOHXNKAFLPGNA-UHFFFAOYSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol (CID 66023870) is [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol is CCS(=O)(=O)CCC1(CO)CCOCC1.
What is the InChIKey of [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol?
The InChIKey is JQOHXNKAFLPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-2-15(12,13)8-5-10(9-11)3-6-14-7-4-10/h11H,2-9H2,1H3.
What are the key properties of [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol?
[4-(2-ethylsulfonylethyl)oxan-4-yl]methanol has a molecular weight of 236.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylsulfonylethyl)oxan-4-yl]methanol is sourced from PubChem (CID 66023870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).