2-(methoxymethyl)-5-methyl-1,3-oxathiolane

C6H12O2S — CID 59615228

IUPAC2-(methoxymethyl)-5-methyl-1,3-oxathiolane
SMILESCOCC1OC(C)CS1
InChIInChI=1S/C6H12O2S/c1-5-4-9-6(8-5)3-7-2/h5-6H,3-4H2,1-2H3
InChIKeyIGZSAGCRGOHAIR-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.11
Rot. Bonds2

About 2-(methoxymethyl)-5-methyl-1,3-oxathiolane

2-(methoxymethyl)-5-methyl-1,3-oxathiolane (PubChem CID 59615228) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-1,3-oxathiolane
PubChem CID59615228
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(methoxymethyl)-5-methyl-1,3-oxathiolane
SMILESCOCC1OC(C)CS1
InChIInChI=1S/C6H12O2S/c1-5-4-9-6(8-5)3-7-2/h5-6H,3-4H2,1-2H3
InChIKeyIGZSAGCRGOHAIR-UHFFFAOYSA-N
XLogP1.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-1,3-oxathiolane?
The IUPAC name of 2-(methoxymethyl)-5-methyl-1,3-oxathiolane (CID 59615228) is 2-(methoxymethyl)-5-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-1,3-oxathiolane?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-1,3-oxathiolane is COCC1OC(C)CS1.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-1,3-oxathiolane?
The InChIKey is IGZSAGCRGOHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5-4-9-6(8-5)3-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-methyl-1,3-oxathiolane?
2-(methoxymethyl)-5-methyl-1,3-oxathiolane has a molecular weight of 148.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-1,3-oxathiolane is sourced from PubChem (CID 59615228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).