2,2,4,4-tetramethyl-1,3-oxathiane

C8H16OS — CID 18539821

IUPAC2,2,4,4-tetramethyl-1,3-oxathiane
SMILESCC1(C)CCOC(C)(C)S1
InChIInChI=1S/C8H16OS/c1-7(2)5-6-9-8(3,4)10-7/h5-6H2,1-4H3
InChIKeyJNIDUBFPCQZNAX-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds

About 2,2,4,4-tetramethyl-1,3-oxathiane

2,2,4,4-tetramethyl-1,3-oxathiane (PubChem CID 18539821) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1,3-oxathiane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1,3-oxathiane
PubChem CID18539821
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2,2,4,4-tetramethyl-1,3-oxathiane
SMILESCC1(C)CCOC(C)(C)S1
InChIInChI=1S/C8H16OS/c1-7(2)5-6-9-8(3,4)10-7/h5-6H2,1-4H3
InChIKeyJNIDUBFPCQZNAX-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1,3-oxathiane?
The IUPAC name of 2,2,4,4-tetramethyl-1,3-oxathiane (CID 18539821) is 2,2,4,4-tetramethyl-1,3-oxathiane.
What is the SMILES notation for 2,2,4,4-tetramethyl-1,3-oxathiane?
The canonical SMILES for 2,2,4,4-tetramethyl-1,3-oxathiane is CC1(C)CCOC(C)(C)S1.
What is the InChIKey of 2,2,4,4-tetramethyl-1,3-oxathiane?
The InChIKey is JNIDUBFPCQZNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)5-6-9-8(3,4)10-7/h5-6H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1,3-oxathiane?
2,2,4,4-tetramethyl-1,3-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1,3-oxathiane is sourced from PubChem (CID 18539821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).