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

C6H12O2S — CID 70231585

IUPAC5-(methoxymethyl)-2-methyl-1,3-oxathiolane
SMILESCOCC1CSC(C)O1
InChIInChI=1S/C6H12O2S/c1-5-8-6(3-7-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyIQAVGUODEFOKPL-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.11
Rot. Bonds2

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

5-(methoxymethyl)-2-methyl-1,3-oxathiolane (PubChem CID 70231585) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methyl-1,3-oxathiolane
PubChem CID70231585
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name5-(methoxymethyl)-2-methyl-1,3-oxathiolane
SMILESCOCC1CSC(C)O1
InChIInChI=1S/C6H12O2S/c1-5-8-6(3-7-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyIQAVGUODEFOKPL-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 5-(methoxymethyl)-2-methyl-1,3-oxathiolane?
The IUPAC name of 5-(methoxymethyl)-2-methyl-1,3-oxathiolane (CID 70231585) is 5-(methoxymethyl)-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 5-(methoxymethyl)-2-methyl-1,3-oxathiolane?
The canonical SMILES for 5-(methoxymethyl)-2-methyl-1,3-oxathiolane is COCC1CSC(C)O1.
What is the InChIKey of 5-(methoxymethyl)-2-methyl-1,3-oxathiolane?
The InChIKey is IQAVGUODEFOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5-8-6(3-7-2)4-9-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-methyl-1,3-oxathiolane?
5-(methoxymethyl)-2-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 5-(methoxymethyl)-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 70231585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).