1-(ethoxymethyl)-1-ethylsulfonylcyclohexane

C11H22O3S — CID 70672847

IUPAC1-(ethoxymethyl)-1-ethylsulfonylcyclohexane
SMILESCCOCC1(S(=O)(=O)CC)CCCCC1
InChIInChI=1S/C11H22O3S/c1-3-14-10-11(15(12,13)4-2)8-6-5-7-9-11/h3-10H2,1-2H3
InChIKeyKLHLIEMFEZPOKY-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.16
Rot. Bonds5

About 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane

1-(ethoxymethyl)-1-ethylsulfonylcyclohexane (PubChem CID 70672847) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-ethylsulfonylcyclohexane
PubChem CID70672847
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-(ethoxymethyl)-1-ethylsulfonylcyclohexane
SMILESCCOCC1(S(=O)(=O)CC)CCCCC1
InChIInChI=1S/C11H22O3S/c1-3-14-10-11(15(12,13)4-2)8-6-5-7-9-11/h3-10H2,1-2H3
InChIKeyKLHLIEMFEZPOKY-UHFFFAOYSA-N
XLogP2.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane?
The IUPAC name of 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane (CID 70672847) is 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane is CCOCC1(S(=O)(=O)CC)CCCCC1.
What is the InChIKey of 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane?
The InChIKey is KLHLIEMFEZPOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-3-14-10-11(15(12,13)4-2)8-6-5-7-9-11/h3-10H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane?
1-(ethoxymethyl)-1-ethylsulfonylcyclohexane has a molecular weight of 234.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-ethylsulfonylcyclohexane is sourced from PubChem (CID 70672847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).