5,5-dimethyloxathiolane 2-oxide

C5H10O2S — CID 126752016

IUPAC5,5-dimethyloxathiolane 2-oxide
SMILESCC1(C)CCS(=O)O1
InChIInChI=1S/C5H10O2S/c1-5(2)3-4-8(6)7-5/h3-4H2,1-2H3
InChIKeyAPWDONRSZLWWLP-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.85
Rot. Bonds

About 5,5-dimethyloxathiolane 2-oxide

5,5-dimethyloxathiolane 2-oxide (PubChem CID 126752016) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 5,5-dimethyloxathiolane 2-oxide.

Molecular Properties

Compound Name5,5-dimethyloxathiolane 2-oxide
PubChem CID126752016
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name5,5-dimethyloxathiolane 2-oxide
SMILESCC1(C)CCS(=O)O1
InChIInChI=1S/C5H10O2S/c1-5(2)3-4-8(6)7-5/h3-4H2,1-2H3
InChIKeyAPWDONRSZLWWLP-UHFFFAOYSA-N
XLogP0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyloxathiolane 2-oxide?
The IUPAC name of 5,5-dimethyloxathiolane 2-oxide (CID 126752016) is 5,5-dimethyloxathiolane 2-oxide.
What is the SMILES notation for 5,5-dimethyloxathiolane 2-oxide?
The canonical SMILES for 5,5-dimethyloxathiolane 2-oxide is CC1(C)CCS(=O)O1.
What is the InChIKey of 5,5-dimethyloxathiolane 2-oxide?
The InChIKey is APWDONRSZLWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(2)3-4-8(6)7-5/h3-4H2,1-2H3.
What are the key properties of 5,5-dimethyloxathiolane 2-oxide?
5,5-dimethyloxathiolane 2-oxide has a molecular weight of 134.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyloxathiolane 2-oxide is sourced from PubChem (CID 126752016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).