2-(1-methoxyethoxy)ethylsulfonylcyclohexane

C11H22O4S — CID 20729113

IUPAC2-(1-methoxyethoxy)ethylsulfonylcyclohexane
SMILESCOC(C)OCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22O4S/c1-10(14-2)15-8-9-16(12,13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOPMVFURNKNWHEY-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.74
Rot. Bonds6

About 2-(1-methoxyethoxy)ethylsulfonylcyclohexane

2-(1-methoxyethoxy)ethylsulfonylcyclohexane (PubChem CID 20729113) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethylsulfonylcyclohexane.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethylsulfonylcyclohexane
PubChem CID20729113
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name2-(1-methoxyethoxy)ethylsulfonylcyclohexane
SMILESCOC(C)OCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22O4S/c1-10(14-2)15-8-9-16(12,13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOPMVFURNKNWHEY-UHFFFAOYSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethylsulfonylcyclohexane?
The IUPAC name of 2-(1-methoxyethoxy)ethylsulfonylcyclohexane (CID 20729113) is 2-(1-methoxyethoxy)ethylsulfonylcyclohexane.
What is the SMILES notation for 2-(1-methoxyethoxy)ethylsulfonylcyclohexane?
The canonical SMILES for 2-(1-methoxyethoxy)ethylsulfonylcyclohexane is COC(C)OCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethylsulfonylcyclohexane?
The InChIKey is OPMVFURNKNWHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-10(14-2)15-8-9-16(12,13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethylsulfonylcyclohexane?
2-(1-methoxyethoxy)ethylsulfonylcyclohexane has a molecular weight of 250.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethylsulfonylcyclohexane is sourced from PubChem (CID 20729113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).