2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine

C37H47NO2Si2 — CID 19794251

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1CC(N)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NO2Si2/c1-36(2,3)41(30-19-11-7-12-20-30,31-21-13-8-14-22-31)39-28-29-27-34(38)35(29)40-42(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28,38H2,1-6H3
InChIKeyKRBZJYXSWMDPNR-UHFFFAOYSA-N
MW593.96 g/mol
LogP5.86
Rot. Bonds9

About 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine

2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (PubChem CID 19794251) has the molecular formula C37H47NO2Si2 and a molecular weight of 593.96 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
PubChem CID19794251
Molecular FormulaC37H47NO2Si2
Molecular Weight593.96 g/mol
Exact Mass593.31
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1CC(N)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NO2Si2/c1-36(2,3)41(30-19-11-7-12-20-30,31-21-13-8-14-22-31)39-28-29-27-34(38)35(29)40-42(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28,38H2,1-6H3
InChIKeyKRBZJYXSWMDPNR-UHFFFAOYSA-N
XLogP5.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.96
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (CID 19794251) is 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is CC(C)(C)[Si](OCC1CC(N)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The InChIKey is KRBZJYXSWMDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47NO2Si2/c1-36(2,3)41(30-19-11-7-12-20-30,31-21-13-8-14-22-31)39-28-29-27-34(38)35(29)40-42(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28,38H2,1-6H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine has a molecular weight of 593.96 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 19794251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).