2,2-dimethyl-1,3-oxathiolane

C5H10OS — CID 21886

IUPAC2,2-dimethyl-1,3-oxathiolane
SMILESCC1(C)OCCS1
InChIInChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKeyXLSCZCCJPDTCGU-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.49
Rot. Bonds

About 2,2-dimethyl-1,3-oxathiolane

2,2-dimethyl-1,3-oxathiolane (PubChem CID 21886) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxathiolane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxathiolane
PubChem CID21886
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2,2-dimethyl-1,3-oxathiolane
SMILESCC1(C)OCCS1
InChIInChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKeyXLSCZCCJPDTCGU-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxathiolane?
The IUPAC name of 2,2-dimethyl-1,3-oxathiolane (CID 21886) is 2,2-dimethyl-1,3-oxathiolane.
What is the SMILES notation for 2,2-dimethyl-1,3-oxathiolane?
The canonical SMILES for 2,2-dimethyl-1,3-oxathiolane is CC1(C)OCCS1.
What is the InChIKey of 2,2-dimethyl-1,3-oxathiolane?
The InChIKey is XLSCZCCJPDTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-oxathiolane?
2,2-dimethyl-1,3-oxathiolane has a molecular weight of 118.20 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxathiolane is sourced from PubChem (CID 21886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).