(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane

C8H16OS — CID 637784

IUPAC(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
SMILESCC(C)(C)[C@@]1(C)OCCS1
InChIInChI=1S/C8H16OS/c1-7(2,3)8(4)9-5-6-10-8/h5-6H2,1-4H3/t8-/m0/s1
InChIKeyKTORUXQIATUGMG-QMMMGPOBSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds

About (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane

(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane (PubChem CID 637784) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
PubChem CID637784
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
SMILESCC(C)(C)[C@@]1(C)OCCS1
InChIInChI=1S/C8H16OS/c1-7(2,3)8(4)9-5-6-10-8/h5-6H2,1-4H3/t8-/m0/s1
InChIKeyKTORUXQIATUGMG-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane?
The IUPAC name of (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane (CID 637784) is (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane.
What is the SMILES notation for (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane?
The canonical SMILES for (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane is CC(C)(C)[C@@]1(C)OCCS1.
What is the InChIKey of (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane?
The InChIKey is KTORUXQIATUGMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2,3)8(4)9-5-6-10-8/h5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane?
(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane 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 (2S)-2-tert-butyl-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 637784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).