4,4-dimethyl-1,4-oxathiane

C6H14OS — CID 18717516

IUPAC4,4-dimethyl-1,4-oxathiane
SMILESCS1(C)CCOCC1
InChIInChI=1S/C6H14OS/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3
InChIKeyMTAUQKFATULOGA-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.08
Rot. Bonds

About 4,4-dimethyl-1,4-oxathiane

4,4-dimethyl-1,4-oxathiane (PubChem CID 18717516) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 4,4-dimethyl-1,4-oxathiane.

Molecular Properties

Compound Name4,4-dimethyl-1,4-oxathiane
PubChem CID18717516
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name4,4-dimethyl-1,4-oxathiane
SMILESCS1(C)CCOCC1
InChIInChI=1S/C6H14OS/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3
InChIKeyMTAUQKFATULOGA-UHFFFAOYSA-N
XLogP1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,4-oxathiane?
The IUPAC name of 4,4-dimethyl-1,4-oxathiane (CID 18717516) is 4,4-dimethyl-1,4-oxathiane.
What is the SMILES notation for 4,4-dimethyl-1,4-oxathiane?
The canonical SMILES for 4,4-dimethyl-1,4-oxathiane is CS1(C)CCOCC1.
What is the InChIKey of 4,4-dimethyl-1,4-oxathiane?
The InChIKey is MTAUQKFATULOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,4-oxathiane?
4,4-dimethyl-1,4-oxathiane has a molecular weight of 134.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,4-oxathiane is sourced from PubChem (CID 18717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).