2,2-dimethyl-1,3,2-oxathiasilolan-5-one

C4H8O2SSi — CID 101241520

IUPAC2,2-dimethyl-1,3,2-oxathiasilolan-5-one
SMILESC[Si]1(C)OC(=O)CS1
InChIInChI=1S/C4H8O2SSi/c1-8(2)6-4(5)3-7-8/h3H2,1-2H3
InChIKeyKDIWLJIMXZYILG-UHFFFAOYSA-N
MW148.26 g/mol
LogP0.98
Rot. Bonds

About 2,2-dimethyl-1,3,2-oxathiasilolan-5-one

2,2-dimethyl-1,3,2-oxathiasilolan-5-one (PubChem CID 101241520) has the molecular formula C4H8O2SSi and a molecular weight of 148.26 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,2-oxathiasilolan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3,2-oxathiasilolan-5-one
PubChem CID101241520
Molecular FormulaC4H8O2SSi
Molecular Weight148.26 g/mol
Exact Mass148.00
IUPAC Name2,2-dimethyl-1,3,2-oxathiasilolan-5-one
SMILESC[Si]1(C)OC(=O)CS1
InChIInChI=1S/C4H8O2SSi/c1-8(2)6-4(5)3-7-8/h3H2,1-2H3
InChIKeyKDIWLJIMXZYILG-UHFFFAOYSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,2-oxathiasilolan-5-one?
The IUPAC name of 2,2-dimethyl-1,3,2-oxathiasilolan-5-one (CID 101241520) is 2,2-dimethyl-1,3,2-oxathiasilolan-5-one.
What is the SMILES notation for 2,2-dimethyl-1,3,2-oxathiasilolan-5-one?
The canonical SMILES for 2,2-dimethyl-1,3,2-oxathiasilolan-5-one is C[Si]1(C)OC(=O)CS1.
What is the InChIKey of 2,2-dimethyl-1,3,2-oxathiasilolan-5-one?
The InChIKey is KDIWLJIMXZYILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2SSi/c1-8(2)6-4(5)3-7-8/h3H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3,2-oxathiasilolan-5-one?
2,2-dimethyl-1,3,2-oxathiasilolan-5-one has a molecular weight of 148.26 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,2-oxathiasilolan-5-one is sourced from PubChem (CID 101241520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).