8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

C31H36ClNO2Si — CID 140874804

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36ClNO2Si/c1-30(2,3)36(27-13-6-4-7-14-27,28-15-8-5-9-16-28)35-26-17-19-31(20-18-26)21-22-33(29(31)34)25-12-10-11-24(32)23-25/h4-16,23,26H,17-22H2,1-3H3
InChIKeyLKZOWOBUVRWURQ-UHFFFAOYSA-N
MW518.17 g/mol
LogP6.58
Rot. Bonds5

About 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 140874804) has the molecular formula C31H36ClNO2Si and a molecular weight of 518.17 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID140874804
Molecular FormulaC31H36ClNO2Si
Molecular Weight518.17 g/mol
Exact Mass517.22
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36ClNO2Si/c1-30(2,3)36(27-13-6-4-7-14-27,28-15-8-5-9-16-28)35-26-17-19-31(20-18-26)21-22-33(29(31)34)25-12-10-11-24(32)23-25/h4-16,23,26H,17-22H2,1-3H3
InChIKeyLKZOWOBUVRWURQ-UHFFFAOYSA-N
XLogP6.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.17
LogP ≤ 56.58
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]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (CID 140874804) is 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is CC(C)(C)[Si](OC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is LKZOWOBUVRWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClNO2Si/c1-30(2,3)36(27-13-6-4-7-14-27,28-15-8-5-9-16-28)35-26-17-19-31(20-18-26)21-22-33(29(31)34)25-12-10-11-24(32)23-25/h4-16,23,26H,17-22H2,1-3H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 518.17 g/mol, XLogP of 6.58, 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]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 140874804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).