2-(1-methoxyethoxy)ethylsulfanylcyclohexane

C11H22O2S — CID 20729105

IUPAC2-(1-methoxyethoxy)ethylsulfanylcyclohexane
SMILESCOC(C)OCCSC1CCCCC1
InChIInChI=1S/C11H22O2S/c1-10(12-2)13-8-9-14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyVEFQNZBIBPCNOY-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.06
Rot. Bonds6

About 2-(1-methoxyethoxy)ethylsulfanylcyclohexane

2-(1-methoxyethoxy)ethylsulfanylcyclohexane (PubChem CID 20729105) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethylsulfanylcyclohexane.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethylsulfanylcyclohexane
PubChem CID20729105
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name2-(1-methoxyethoxy)ethylsulfanylcyclohexane
SMILESCOC(C)OCCSC1CCCCC1
InChIInChI=1S/C11H22O2S/c1-10(12-2)13-8-9-14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyVEFQNZBIBPCNOY-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)ethylsulfanylcyclohexane?
The IUPAC name of 2-(1-methoxyethoxy)ethylsulfanylcyclohexane (CID 20729105) is 2-(1-methoxyethoxy)ethylsulfanylcyclohexane.
What is the SMILES notation for 2-(1-methoxyethoxy)ethylsulfanylcyclohexane?
The canonical SMILES for 2-(1-methoxyethoxy)ethylsulfanylcyclohexane is COC(C)OCCSC1CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethylsulfanylcyclohexane?
The InChIKey is VEFQNZBIBPCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-10(12-2)13-8-9-14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethylsulfanylcyclohexane?
2-(1-methoxyethoxy)ethylsulfanylcyclohexane has a molecular weight of 218.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethylsulfanylcyclohexane is sourced from PubChem (CID 20729105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).