4-methoxy-4-methylsulfanyloxane

C7H14O2S — CID 167295519

IUPAC4-methoxy-4-methylsulfanyloxane
SMILESCOC1(SC)CCOCC1
InChIInChI=1S/C7H14O2S/c1-8-7(10-2)3-5-9-6-4-7/h3-6H2,1-2H3
InChIKeyGJAGSSRYPGPDEM-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.50
Rot. Bonds2

About 4-methoxy-4-methylsulfanyloxane

4-methoxy-4-methylsulfanyloxane (PubChem CID 167295519) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 4-methoxy-4-methylsulfanyloxane.

Molecular Properties

Compound Name4-methoxy-4-methylsulfanyloxane
PubChem CID167295519
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name4-methoxy-4-methylsulfanyloxane
SMILESCOC1(SC)CCOCC1
InChIInChI=1S/C7H14O2S/c1-8-7(10-2)3-5-9-6-4-7/h3-6H2,1-2H3
InChIKeyGJAGSSRYPGPDEM-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methoxy-4-methylsulfanyloxane?
The IUPAC name of 4-methoxy-4-methylsulfanyloxane (CID 167295519) is 4-methoxy-4-methylsulfanyloxane.
What is the SMILES notation for 4-methoxy-4-methylsulfanyloxane?
The canonical SMILES for 4-methoxy-4-methylsulfanyloxane is COC1(SC)CCOCC1.
What is the InChIKey of 4-methoxy-4-methylsulfanyloxane?
The InChIKey is GJAGSSRYPGPDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-8-7(10-2)3-5-9-6-4-7/h3-6H2,1-2H3.
What are the key properties of 4-methoxy-4-methylsulfanyloxane?
4-methoxy-4-methylsulfanyloxane has a molecular weight of 162.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylsulfanyloxane is sourced from PubChem (CID 167295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).