1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one

C16H31NO2Si — CID 59299475

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h13-14H,6-12H2,1-5H3
InChIKeyWRYMRHQCIFWHGV-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.94
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one

1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one (PubChem CID 59299475) has the molecular formula C16H31NO2Si and a molecular weight of 297.51 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one
PubChem CID59299475
Molecular FormulaC16H31NO2Si
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h13-14H,6-12H2,1-5H3
InChIKeyWRYMRHQCIFWHGV-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one (CID 59299475) is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one?
The InChIKey is WRYMRHQCIFWHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one?
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one has a molecular weight of 297.51 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 59299475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).