dimethoxymethane;methane;1-methylsulfanylpropane

C8H22O2S — CID 159739750

IUPACdimethoxymethane;methane;1-methylsulfanylpropane
SMILESC.CCCSC.COCOC
InChIInChI=1S/C4H10S.C3H8O2.CH4/c1-3-4-5-2;1-4-3-5-2;/h3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyNCHLYOVLBIJPEF-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.63
Rot. Bonds4

About dimethoxymethane;methane;1-methylsulfanylpropane

dimethoxymethane;methane;1-methylsulfanylpropane (PubChem CID 159739750) has the molecular formula C8H22O2S and a molecular weight of 182.33 g/mol. Its IUPAC name is dimethoxymethane;methane;1-methylsulfanylpropane.

Molecular Properties

Compound Namedimethoxymethane;methane;1-methylsulfanylpropane
PubChem CID159739750
Molecular FormulaC8H22O2S
Molecular Weight182.33 g/mol
Exact Mass182.13
IUPAC Namedimethoxymethane;methane;1-methylsulfanylpropane
SMILESC.CCCSC.COCOC
InChIInChI=1S/C4H10S.C3H8O2.CH4/c1-3-4-5-2;1-4-3-5-2;/h3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyNCHLYOVLBIJPEF-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.63
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 dimethoxymethane;methane;1-methylsulfanylpropane?
The IUPAC name of dimethoxymethane;methane;1-methylsulfanylpropane (CID 159739750) is dimethoxymethane;methane;1-methylsulfanylpropane.
What is the SMILES notation for dimethoxymethane;methane;1-methylsulfanylpropane?
The canonical SMILES for dimethoxymethane;methane;1-methylsulfanylpropane is C.CCCSC.COCOC.
What is the InChIKey of dimethoxymethane;methane;1-methylsulfanylpropane?
The InChIKey is NCHLYOVLBIJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.C3H8O2.CH4/c1-3-4-5-2;1-4-3-5-2;/h3-4H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of dimethoxymethane;methane;1-methylsulfanylpropane?
dimethoxymethane;methane;1-methylsulfanylpropane has a molecular weight of 182.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;methane;1-methylsulfanylpropane is sourced from PubChem (CID 159739750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).