3-(ethoxymethyl)-5-methylthiolan-3-ol

C8H16O2S — CID 79949816

IUPAC3-(ethoxymethyl)-5-methylthiolan-3-ol
SMILESCCOCC1(O)CSC(C)C1
InChIInChI=1S/C8H16O2S/c1-3-10-5-8(9)4-7(2)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyBAJCRULYTYGSDZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.28
Rot. Bonds3

About 3-(ethoxymethyl)-5-methylthiolan-3-ol

3-(ethoxymethyl)-5-methylthiolan-3-ol (PubChem CID 79949816) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-methylthiolan-3-ol
PubChem CID79949816
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-(ethoxymethyl)-5-methylthiolan-3-ol
SMILESCCOCC1(O)CSC(C)C1
InChIInChI=1S/C8H16O2S/c1-3-10-5-8(9)4-7(2)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyBAJCRULYTYGSDZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-methylthiolan-3-ol?
The IUPAC name of 3-(ethoxymethyl)-5-methylthiolan-3-ol (CID 79949816) is 3-(ethoxymethyl)-5-methylthiolan-3-ol.
What is the SMILES notation for 3-(ethoxymethyl)-5-methylthiolan-3-ol?
The canonical SMILES for 3-(ethoxymethyl)-5-methylthiolan-3-ol is CCOCC1(O)CSC(C)C1.
What is the InChIKey of 3-(ethoxymethyl)-5-methylthiolan-3-ol?
The InChIKey is BAJCRULYTYGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-10-5-8(9)4-7(2)11-6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-5-methylthiolan-3-ol?
3-(ethoxymethyl)-5-methylthiolan-3-ol has a molecular weight of 176.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-methylthiolan-3-ol is sourced from PubChem (CID 79949816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).