8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one

C25H33NO2Si — CID 67148555

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CCNC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO2Si/c1-24(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-20-14-16-25(17-15-20)18-19-26-23(25)27/h4-13,20H,14-19H2,1-3H3,(H,26,27)
InChIKeyRRHXSOPJSZAOOZ-UHFFFAOYSA-N
MW407.63 g/mol
LogP4.01
Rot. Bonds4

About 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one

8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one (PubChem CID 67148555) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one
PubChem CID67148555
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CCNC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO2Si/c1-24(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-20-14-16-25(17-15-20)18-19-26-23(25)27/h4-13,20H,14-19H2,1-3H3,(H,26,27)
InChIKeyRRHXSOPJSZAOOZ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
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]oxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one (CID 67148555) is 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one is CC(C)(C)[Si](OC1CCC2(CCNC2=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is RRHXSOPJSZAOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-24(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-20-14-16-25(17-15-20)18-19-26-23(25)27/h4-13,20H,14-19H2,1-3H3,(H,26,27).
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one?
8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 407.63 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).