1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile

C8H15NO3SSi — CID 63165899

IUPAC1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3SSi/c1-14(2,3)12-8(6-9)4-5-13(10,11)7-8/h4-5,7H2,1-3H3
InChIKeyMBYTZXLEQQRWDD-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.92
Rot. Bonds2

About 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile

1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile (PubChem CID 63165899) has the molecular formula C8H15NO3SSi and a molecular weight of 233.36 g/mol. Its IUPAC name is 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile.

Molecular Properties

Compound Name1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile
PubChem CID63165899
Molecular FormulaC8H15NO3SSi
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3SSi/c1-14(2,3)12-8(6-9)4-5-13(10,11)7-8/h4-5,7H2,1-3H3
InChIKeyMBYTZXLEQQRWDD-UHFFFAOYSA-N
XLogP0.92
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile?
The IUPAC name of 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile (CID 63165899) is 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile.
What is the SMILES notation for 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile?
The canonical SMILES for 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile is C[Si](C)(C)OC1(C#N)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile?
The InChIKey is MBYTZXLEQQRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3SSi/c1-14(2,3)12-8(6-9)4-5-13(10,11)7-8/h4-5,7H2,1-3H3.
What are the key properties of 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile?
1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-trimethylsilyloxythiolane-3-carbonitrile is sourced from PubChem (CID 63165899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).