2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane

C12H24O2S — CID 20729107

IUPAC2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane
SMILESCOC(C)OCCSCC1CCCCC1
InChIInChI=1S/C12H24O2S/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyVVTYZWFGBXGIPI-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.31
Rot. Bonds7

About 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane

2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane (PubChem CID 20729107) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane
PubChem CID20729107
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane
SMILESCOC(C)OCCSCC1CCCCC1
InChIInChI=1S/C12H24O2S/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyVVTYZWFGBXGIPI-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.31
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)ethylsulfanylmethylcyclohexane?
The IUPAC name of 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane (CID 20729107) is 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane.
What is the SMILES notation for 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane?
The canonical SMILES for 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane is COC(C)OCCSCC1CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane?
The InChIKey is VVTYZWFGBXGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-11(13-2)14-8-9-15-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane?
2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane has a molecular weight of 232.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethylsulfanylmethylcyclohexane is sourced from PubChem (CID 20729107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).