(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane

C7H14OS — CID 637774

IUPAC(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane
SMILESC[C@H]1OC(C)(C)S[C@@H]1C
InChIInChI=1S/C7H14OS/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyQJNQGNSMFPTBAA-PHDIDXHHSA-N
MW146.25 g/mol
LogP2.26
Rot. Bonds

About (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane

(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane (PubChem CID 637774) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane.

Molecular Properties

Compound Name(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane
PubChem CID637774
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane
SMILESC[C@H]1OC(C)(C)S[C@@H]1C
InChIInChI=1S/C7H14OS/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyQJNQGNSMFPTBAA-PHDIDXHHSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane?
The IUPAC name of (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane (CID 637774) is (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane.
What is the SMILES notation for (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane?
The canonical SMILES for (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane is C[C@H]1OC(C)(C)S[C@@H]1C.
What is the InChIKey of (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane?
The InChIKey is QJNQGNSMFPTBAA-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane?
(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane has a molecular weight of 146.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane is sourced from PubChem (CID 637774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).