(5R)-2,2,5-trimethyl-1,4-oxathiane

C7H14OS — CID 11804906

IUPAC(5R)-2,2,5-trimethyl-1,4-oxathiane
SMILESC[C@@H]1COC(C)(C)CS1
InChIInChI=1S/C7H14OS/c1-6-4-8-7(2,3)5-9-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeySUFIZHFATYQHOQ-ZCFIWIBFSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds

About (5R)-2,2,5-trimethyl-1,4-oxathiane

(5R)-2,2,5-trimethyl-1,4-oxathiane (PubChem CID 11804906) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (5R)-2,2,5-trimethyl-1,4-oxathiane.

Molecular Properties

Compound Name(5R)-2,2,5-trimethyl-1,4-oxathiane
PubChem CID11804906
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(5R)-2,2,5-trimethyl-1,4-oxathiane
SMILESC[C@@H]1COC(C)(C)CS1
InChIInChI=1S/C7H14OS/c1-6-4-8-7(2,3)5-9-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeySUFIZHFATYQHOQ-ZCFIWIBFSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 (5R)-2,2,5-trimethyl-1,4-oxathiane?
The IUPAC name of (5R)-2,2,5-trimethyl-1,4-oxathiane (CID 11804906) is (5R)-2,2,5-trimethyl-1,4-oxathiane.
What is the SMILES notation for (5R)-2,2,5-trimethyl-1,4-oxathiane?
The canonical SMILES for (5R)-2,2,5-trimethyl-1,4-oxathiane is C[C@@H]1COC(C)(C)CS1.
What is the InChIKey of (5R)-2,2,5-trimethyl-1,4-oxathiane?
The InChIKey is SUFIZHFATYQHOQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14OS/c1-6-4-8-7(2,3)5-9-6/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (5R)-2,2,5-trimethyl-1,4-oxathiane?
(5R)-2,2,5-trimethyl-1,4-oxathiane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,5-trimethyl-1,4-oxathiane is sourced from PubChem (CID 11804906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).