8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C14H27NO2Si — CID 140761486

IUPAC8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCCN1C(=O)CC2
InChIInChI=1S/C14H27NO2Si/c1-13(2,3)18(4,5)17-11-14-8-6-10-15(14)12(16)7-9-14/h6-11H2,1-5H3
InChIKeyQMOWJVBTLVAKDE-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.16
Rot. Bonds3

About 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 140761486) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID140761486
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCCN1C(=O)CC2
InChIInChI=1S/C14H27NO2Si/c1-13(2,3)18(4,5)17-11-14-8-6-10-15(14)12(16)7-9-14/h6-11H2,1-5H3
InChIKeyQMOWJVBTLVAKDE-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.16
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 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 140761486) is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](C)(C)OCC12CCCN1C(=O)CC2.
What is the InChIKey of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is QMOWJVBTLVAKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-13(2,3)18(4,5)17-11-14-8-6-10-15(14)12(16)7-9-14/h6-11H2,1-5H3.
What are the key properties of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 269.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 140761486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).