[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol

C9H18O4S — CID 66060068

IUPAC[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCOC1
InChIInChI=1S/C9H18O4S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h10H,2-8H2,1H3
InChIKeyFZEIIEBGYIZZSY-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.21
Rot. Bonds5

About [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol

[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol (PubChem CID 66060068) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
PubChem CID66060068
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCOC1
InChIInChI=1S/C9H18O4S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h10H,2-8H2,1H3
InChIKeyFZEIIEBGYIZZSY-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181
4-(chloromethyl)-4-(3-ethylsulfonylpropyl)oxane
CID 66035549
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
(3-octyloxan-3-yl)methanol
CID 66058603

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol?
The IUPAC name of [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol (CID 66060068) is [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol is CCS(=O)(=O)CCC1(CO)CCOC1.
What is the InChIKey of [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol?
The InChIKey is FZEIIEBGYIZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h10H,2-8H2,1H3.
What are the key properties of [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol?
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol has a molecular weight of 222.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 66060068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).