1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane

C7H16O2S — CID 20798614

IUPAC1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane
SMILESCOCC(COC)CSC
InChIInChI=1S/C7H16O2S/c1-8-4-7(5-9-2)6-10-3/h7H,4-6H2,1-3H3
InChIKeySKMNFQIMAZFFKY-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.26
Rot. Bonds6

About 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane

1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane (PubChem CID 20798614) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane
PubChem CID20798614
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane
SMILESCOCC(COC)CSC
InChIInChI=1S/C7H16O2S/c1-8-4-7(5-9-2)6-10-3/h7H,4-6H2,1-3H3
InChIKeySKMNFQIMAZFFKY-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethylsulfanyl)-1-methoxy-2-methylpropane
CID 13228615
1-Methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane
CID 20798613
1-Methoxy-3-(2-methoxyethylsulfanyl)-2-methylpropane
CID 22082032
2-Methyl-1-(2-methylsulfanylethoxy)propane
CID 23568651
1-(2-Methoxyethylsulfanyl)-2-methylpropane
CID 52141712
1-Methoxy-2-methyl-3-methylsulfanylpropane
CID 87455583
2-Methyl-1-(3-methylsulfanylpropoxy)propane
CID 88970426
(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane
CID 89054726
1,3-Dimethoxy-2-methylsulfanylpropane
CID 89529336
1-Methoxy-3-methyl-2-methylsulfanylbutane
CID 90861803
Ethane;5-methyl-1,3-oxathiane
CID 91312031
1-Ethoxy-2-methyl-1-methylsulfanylpropane
CID 118501631

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane (CID 20798614) is 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane is COCC(COC)CSC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane?
The InChIKey is SKMNFQIMAZFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-8-4-7(5-9-2)6-10-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane?
1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane has a molecular weight of 164.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3-methylsulfanylpropane is sourced from PubChem (CID 20798614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).