3-[ethoxy(methoxy)methyl]oxathiane

C8H16O3S — CID 171853743

IUPAC3-[ethoxy(methoxy)methyl]oxathiane
SMILESCCOC(OC)C1CCCOS1
InChIInChI=1S/C8H16O3S/c1-3-10-8(9-2)7-5-4-6-11-12-7/h7-8H,3-6H2,1-2H3
InChIKeyWMWBKQBKMNPXBV-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.82
Rot. Bonds4

About 3-[ethoxy(methoxy)methyl]oxathiane

3-[ethoxy(methoxy)methyl]oxathiane (PubChem CID 171853743) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-[ethoxy(methoxy)methyl]oxathiane.

Molecular Properties

Compound Name3-[ethoxy(methoxy)methyl]oxathiane
PubChem CID171853743
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-[ethoxy(methoxy)methyl]oxathiane
SMILESCCOC(OC)C1CCCOS1
InChIInChI=1S/C8H16O3S/c1-3-10-8(9-2)7-5-4-6-11-12-7/h7-8H,3-6H2,1-2H3
InChIKeyWMWBKQBKMNPXBV-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methoxy)methyl]oxathiane?
The IUPAC name of 3-[ethoxy(methoxy)methyl]oxathiane (CID 171853743) is 3-[ethoxy(methoxy)methyl]oxathiane.
What is the SMILES notation for 3-[ethoxy(methoxy)methyl]oxathiane?
The canonical SMILES for 3-[ethoxy(methoxy)methyl]oxathiane is CCOC(OC)C1CCCOS1.
What is the InChIKey of 3-[ethoxy(methoxy)methyl]oxathiane?
The InChIKey is WMWBKQBKMNPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-10-8(9-2)7-5-4-6-11-12-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-[ethoxy(methoxy)methyl]oxathiane?
3-[ethoxy(methoxy)methyl]oxathiane has a molecular weight of 192.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methoxy)methyl]oxathiane is sourced from PubChem (CID 171853743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).