2-ethyl-2-methyl-1,4-oxathiane

C7H14OS — CID 163379831

IUPAC2-ethyl-2-methyl-1,4-oxathiane
SMILESCCC1(C)CSCCO1
InChIInChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8-7/h3-6H2,1-2H3
InChIKeyKUMAMZZTZZWBIH-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds1

About 2-ethyl-2-methyl-1,4-oxathiane

2-ethyl-2-methyl-1,4-oxathiane (PubChem CID 163379831) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1,4-oxathiane.

Molecular Properties

Compound Name2-ethyl-2-methyl-1,4-oxathiane
PubChem CID163379831
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-ethyl-2-methyl-1,4-oxathiane
SMILESCCC1(C)CSCCO1
InChIInChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8-7/h3-6H2,1-2H3
InChIKeyKUMAMZZTZZWBIH-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1,4-oxathiane?
The IUPAC name of 2-ethyl-2-methyl-1,4-oxathiane (CID 163379831) is 2-ethyl-2-methyl-1,4-oxathiane.
What is the SMILES notation for 2-ethyl-2-methyl-1,4-oxathiane?
The canonical SMILES for 2-ethyl-2-methyl-1,4-oxathiane is CCC1(C)CSCCO1.
What is the InChIKey of 2-ethyl-2-methyl-1,4-oxathiane?
The InChIKey is KUMAMZZTZZWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8-7/h3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-1,4-oxathiane?
2-ethyl-2-methyl-1,4-oxathiane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1,4-oxathiane is sourced from PubChem (CID 163379831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).