2,2,5,6-tetramethyl-1,3-oxathiane

C8H16OS — CID 550352

IUPAC2,2,5,6-tetramethyl-1,3-oxathiane
SMILESCC1CSC(C)(C)OC1C
InChIInChI=1S/C8H16OS/c1-6-5-10-8(3,4)9-7(6)2/h6-7H,5H2,1-4H3
InChIKeyYEYSKLYLBSRPLO-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds

About 2,2,5,6-tetramethyl-1,3-oxathiane

2,2,5,6-tetramethyl-1,3-oxathiane (PubChem CID 550352) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2,2,5,6-tetramethyl-1,3-oxathiane.

Molecular Properties

Compound Name2,2,5,6-tetramethyl-1,3-oxathiane
PubChem CID550352
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2,2,5,6-tetramethyl-1,3-oxathiane
SMILESCC1CSC(C)(C)OC1C
InChIInChI=1S/C8H16OS/c1-6-5-10-8(3,4)9-7(6)2/h6-7H,5H2,1-4H3
InChIKeyYEYSKLYLBSRPLO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
2,6-Dimethyl-1,4-oxathiane
CID 231901
(r,s)-2-Methyl-[1,4]oxathiane
CID 13757283
Jmjgrbrvnkjamm-uhfffaoysa-
CID 21578782
1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2,3-Dimethyl-[1,4]oxathiane
CID 13291411
2,2-Diethyl-5,5-dimethyl-1,3-oxathiane
CID 21578780
1,3-Oxathiane, 2-ethyl-2,6-dimethyl-, trans-
CID 22212713
1,3-Oxathiane, 2,5-dimethyl
CID 529078
1,3-Oxathiane, 2-ethyl-2,6-dimethyl-
CID 537059
2,6-Dimethyl-1,3-oxathiane
CID 543657
2-Isopropyl-6-methyl-1,3-oxathiane
CID 544306

Frequently Asked Questions

What is the IUPAC name of 2,2,5,6-tetramethyl-1,3-oxathiane?
The IUPAC name of 2,2,5,6-tetramethyl-1,3-oxathiane (CID 550352) is 2,2,5,6-tetramethyl-1,3-oxathiane.
What is the SMILES notation for 2,2,5,6-tetramethyl-1,3-oxathiane?
The canonical SMILES for 2,2,5,6-tetramethyl-1,3-oxathiane is CC1CSC(C)(C)OC1C.
What is the InChIKey of 2,2,5,6-tetramethyl-1,3-oxathiane?
The InChIKey is YEYSKLYLBSRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6-5-10-8(3,4)9-7(6)2/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,5,6-tetramethyl-1,3-oxathiane?
2,2,5,6-tetramethyl-1,3-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6-tetramethyl-1,3-oxathiane is sourced from PubChem (CID 550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).