(4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane

C8H16OS — CID 91703038

IUPAC(4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane
SMILESC[C@@H]1C[C@H](C)SC(C)(C)O1
InChIInChI=1S/C8H16OS/c1-6-5-7(2)10-8(3,4)9-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyLPCWYDWZCPIOJH-RQJHMYQMSA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds

About (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane

(4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane (PubChem CID 91703038) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane.

Molecular Properties

Compound Name(4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane
PubChem CID91703038
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane
SMILESC[C@@H]1C[C@H](C)SC(C)(C)O1
InChIInChI=1S/C8H16OS/c1-6-5-7(2)10-8(3,4)9-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyLPCWYDWZCPIOJH-RQJHMYQMSA-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 (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane?
The IUPAC name of (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane (CID 91703038) is (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane.
What is the SMILES notation for (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane?
The canonical SMILES for (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane is C[C@@H]1C[C@H](C)SC(C)(C)O1.
What is the InChIKey of (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane?
The InChIKey is LPCWYDWZCPIOJH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16OS/c1-6-5-7(2)10-8(3,4)9-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane?
(4S,6R)-2,2,4,6-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 (4S,6R)-2,2,4,6-tetramethyl-1,3-oxathiane is sourced from PubChem (CID 91703038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).