4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane

C11H22O3S — CID 57191058

IUPAC4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane
SMILESCCOCCOC1CSC(CCOC)C1
InChIInChI=1S/C11H22O3S/c1-3-13-6-7-14-10-8-11(15-9-10)4-5-12-2/h10-11H,3-9H2,1-2H3
InChIKeySTJTVRVGEISSQT-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.95
Rot. Bonds8

About 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane

4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane (PubChem CID 57191058) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane
PubChem CID57191058
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane
SMILESCCOCCOC1CSC(CCOC)C1
InChIInChI=1S/C11H22O3S/c1-3-13-6-7-14-10-8-11(15-9-10)4-5-12-2/h10-11H,3-9H2,1-2H3
InChIKeySTJTVRVGEISSQT-UHFFFAOYSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane?
The IUPAC name of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane (CID 57191058) is 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane is CCOCCOC1CSC(CCOC)C1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane?
The InChIKey is STJTVRVGEISSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-3-13-6-7-14-10-8-11(15-9-10)4-5-12-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane?
4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane has a molecular weight of 234.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)thiolane is sourced from PubChem (CID 57191058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).