4-ethoxy-2,4-dimethylthiolane

C8H16OS — CID 19899987

IUPAC4-ethoxy-2,4-dimethylthiolane
SMILESCCOC1(C)CSC(C)C1
InChIInChI=1S/C8H16OS/c1-4-9-8(3)5-7(2)10-6-8/h7H,4-6H2,1-3H3
InChIKeyJXOGTZTUGLIYDZ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds2

About 4-ethoxy-2,4-dimethylthiolane

4-ethoxy-2,4-dimethylthiolane (PubChem CID 19899987) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-ethoxy-2,4-dimethylthiolane.

Molecular Properties

Compound Name4-ethoxy-2,4-dimethylthiolane
PubChem CID19899987
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name4-ethoxy-2,4-dimethylthiolane
SMILESCCOC1(C)CSC(C)C1
InChIInChI=1S/C8H16OS/c1-4-9-8(3)5-7(2)10-6-8/h7H,4-6H2,1-3H3
InChIKeyJXOGTZTUGLIYDZ-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,4-dimethylthiolane?
The IUPAC name of 4-ethoxy-2,4-dimethylthiolane (CID 19899987) is 4-ethoxy-2,4-dimethylthiolane.
What is the SMILES notation for 4-ethoxy-2,4-dimethylthiolane?
The canonical SMILES for 4-ethoxy-2,4-dimethylthiolane is CCOC1(C)CSC(C)C1.
What is the InChIKey of 4-ethoxy-2,4-dimethylthiolane?
The InChIKey is JXOGTZTUGLIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-9-8(3)5-7(2)10-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-2,4-dimethylthiolane?
4-ethoxy-2,4-dimethylthiolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,4-dimethylthiolane is sourced from PubChem (CID 19899987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).