8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one

C26H35NO2Si — CID 156645518

IUPAC8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one
SMILESCC1(C)CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C26H35NO2Si/c1-24(2,3)30(21-13-8-6-9-14-21,22-15-10-7-11-16-22)29-20-26-17-12-18-27(26)23(28)25(4,5)19-26/h6-11,13-16H,12,17-20H2,1-5H3
InChIKeyFBNIKEMIVVVETQ-UHFFFAOYSA-N
MW421.66 g/mol
LogP4.35
Rot. Bonds5

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

8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one (PubChem CID 156645518) has the molecular formula C26H35NO2Si and a molecular weight of 421.66 g/mol. Its IUPAC name is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one
PubChem CID156645518
Molecular FormulaC26H35NO2Si
Molecular Weight421.66 g/mol
Exact Mass421.24
IUPAC Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one
SMILESCC1(C)CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C26H35NO2Si/c1-24(2,3)30(21-13-8-6-9-14-21,22-15-10-7-11-16-22)29-20-26-17-12-18-27(26)23(28)25(4,5)19-26/h6-11,13-16H,12,17-20H2,1-5H3
InChIKeyFBNIKEMIVVVETQ-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.66
LogP ≤ 54.35
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(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one (CID 156645518) is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one is CC1(C)CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O.
What is the InChIKey of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one?
The InChIKey is FBNIKEMIVVVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2Si/c1-24(2,3)30(21-13-8-6-9-14-21,22-15-10-7-11-16-22)29-20-26-17-12-18-27(26)23(28)25(4,5)19-26/h6-11,13-16H,12,17-20H2,1-5H3.
What are the key properties of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one?
8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one has a molecular weight of 421.66 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 156645518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).