3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile

C12H22N2O2Si — CID 13073899

IUPAC3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1C#N
InChIInChI=1S/C12H22N2O2Si/c1-8(10-9(7-13)14-11(10)15)16-17(5,6)12(2,3)4/h8-10H,1-6H3,(H,14,15)
InChIKeyKIWLVXILZOFVMC-UHFFFAOYSA-N
MW254.41 g/mol
LogP2.03
Rot. Bonds3

About 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile

3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile (PubChem CID 13073899) has the molecular formula C12H22N2O2Si and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile
PubChem CID13073899
Molecular FormulaC12H22N2O2Si
Molecular Weight254.41 g/mol
Exact Mass254.15
IUPAC Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1C#N
InChIInChI=1S/C12H22N2O2Si/c1-8(10-9(7-13)14-11(10)15)16-17(5,6)12(2,3)4/h8-10H,1-6H3,(H,14,15)
InChIKeyKIWLVXILZOFVMC-UHFFFAOYSA-N
XLogP2.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
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 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile?
The IUPAC name of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile (CID 13073899) is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile.
What is the SMILES notation for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile?
The canonical SMILES for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile is CC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1C#N.
What is the InChIKey of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile?
The InChIKey is KIWLVXILZOFVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2Si/c1-8(10-9(7-13)14-11(10)15)16-17(5,6)12(2,3)4/h8-10H,1-6H3,(H,14,15).
What are the key properties of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile?
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile has a molecular weight of 254.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carbonitrile is sourced from PubChem (CID 13073899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).