8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one

C64H72Cl4N2O5Si2 — CID 142786312

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CC1)CCN(Cc1c(Cl)cc(Oc3cc(Cl)c(CN4CCC5(CCC(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)CC5)C4=O)c(Cl)c3)cc1Cl)C2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H72Cl4N2O5Si2/c1-61(2,3)76(49-19-11-7-12-20-49,50-21-13-8-14-22-50)74-45-27-31-63(32-28-45)35-37-69(59(63)71)43-53-55(65)39-47(40-56(53)66)73-48-41-57(67)54(58(68)42-48)44-70-38-36-64(60(70)72)33-29-46(30-34-64)75-77(62(4,5)6,51-23-15-9-16-24-51)52-25-17-10-18-26-52/h7-26,39-42,45-46H,27-38,43-44H2,1-6H3
InChIKeyDJWSWTINGVOLET-UHFFFAOYSA-N
MW1147.27 g/mol
LogP14.57
Rot. Bonds14

About 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one

8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 142786312) has the molecular formula C64H72Cl4N2O5Si2 and a molecular weight of 1147.27 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one
PubChem CID142786312
Molecular FormulaC64H72Cl4N2O5Si2
Molecular Weight1147.27 g/mol
Exact Mass1144.37
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)[Si](OC1CCC2(CC1)CCN(Cc1c(Cl)cc(Oc3cc(Cl)c(CN4CCC5(CCC(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)CC5)C4=O)c(Cl)c3)cc1Cl)C2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H72Cl4N2O5Si2/c1-61(2,3)76(49-19-11-7-12-20-49,50-21-13-8-14-22-50)74-45-27-31-63(32-28-45)35-37-69(59(63)71)43-53-55(65)39-47(40-56(53)66)73-48-41-57(67)54(58(68)42-48)44-70-38-36-64(60(70)72)33-29-46(30-34-64)75-77(62(4,5)6,51-23-15-9-16-24-51)52-25-17-10-18-26-52/h7-26,39-42,45-46H,27-38,43-44H2,1-6H3
InChIKeyDJWSWTINGVOLET-UHFFFAOYSA-N
XLogP14.57
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.27
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one (CID 142786312) is 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one is CC(C)(C)[Si](OC1CCC2(CC1)CCN(Cc1c(Cl)cc(Oc3cc(Cl)c(CN4CCC5(CCC(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)CC5)C4=O)c(Cl)c3)cc1Cl)C2=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is DJWSWTINGVOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72Cl4N2O5Si2/c1-61(2,3)76(49-19-11-7-12-20-49,50-21-13-8-14-22-50)74-45-27-31-63(32-28-45)35-37-69(59(63)71)43-53-55(65)39-47(40-56(53)66)73-48-41-57(67)54(58(68)42-48)44-70-38-36-64(60(70)72)33-29-46(30-34-64)75-77(62(4,5)6,51-23-15-9-16-24-51)52-25-17-10-18-26-52/h7-26,39-42,45-46H,27-38,43-44H2,1-6H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one?
8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 1147.27 g/mol, XLogP of 14.57, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxy-2-[[4-[4-[[8-[tert-butyl(diphenyl)silyl]oxy-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]-3,5-dichlorophenoxy]-2,6-dichlorophenyl]methyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 142786312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).