2-(oxan-2-ylmethylsulfonyl)ethanol

C8H16O4S — CID 71857024

IUPAC2-(oxan-2-ylmethylsulfonyl)ethanol
SMILESO=S(=O)(CCO)CC1CCCCO1
InChIInChI=1S/C8H16O4S/c9-4-6-13(10,11)7-8-3-1-2-5-12-8/h8-9H,1-7H2
InChIKeyOTZUJFREPDGNMS-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.04
Rot. Bonds4

About 2-(oxan-2-ylmethylsulfonyl)ethanol

2-(oxan-2-ylmethylsulfonyl)ethanol (PubChem CID 71857024) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(oxan-2-ylmethylsulfonyl)ethanol
PubChem CID71857024
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name2-(oxan-2-ylmethylsulfonyl)ethanol
SMILESO=S(=O)(CCO)CC1CCCCO1
InChIInChI=1S/C8H16O4S/c9-4-6-13(10,11)7-8-3-1-2-5-12-8/h8-9H,1-7H2
InChIKeyOTZUJFREPDGNMS-UHFFFAOYSA-N
XLogP-0.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106513646
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846
[(2S)-oxan-2-yl]methanol
CID 6950811
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
2-[(5-bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
4-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106494893
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106495993

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylsulfonyl)ethanol?
The IUPAC name of 2-(oxan-2-ylmethylsulfonyl)ethanol (CID 71857024) is 2-(oxan-2-ylmethylsulfonyl)ethanol.
What is the SMILES notation for 2-(oxan-2-ylmethylsulfonyl)ethanol?
The canonical SMILES for 2-(oxan-2-ylmethylsulfonyl)ethanol is O=S(=O)(CCO)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylsulfonyl)ethanol?
The InChIKey is OTZUJFREPDGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c9-4-6-13(10,11)7-8-3-1-2-5-12-8/h8-9H,1-7H2.
What are the key properties of 2-(oxan-2-ylmethylsulfonyl)ethanol?
2-(oxan-2-ylmethylsulfonyl)ethanol has a molecular weight of 208.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylsulfonyl)ethanol is sourced from PubChem (CID 71857024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).