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

C37H47NO2Si2 — CID 70362728

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1CC(N)(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NO2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)39-29-30-27-37(38,28-30)40-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,38H2,1-6H3
InChIKeyWOZIPOZSNVPJMN-UHFFFAOYSA-N
MW593.96 g/mol
LogP6.20
Rot. Bonds9

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

1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (PubChem CID 70362728) has the molecular formula C37H47NO2Si2 and a molecular weight of 593.96 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
PubChem CID70362728
Molecular FormulaC37H47NO2Si2
Molecular Weight593.96 g/mol
Exact Mass593.31
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
SMILESCC(C)(C)[Si](OCC1CC(N)(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NO2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)39-29-30-27-37(38,28-30)40-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,38H2,1-6H3
InChIKeyWOZIPOZSNVPJMN-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine (CID 70362728) is 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is CC(C)(C)[Si](OCC1CC(N)(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
The InChIKey is WOZIPOZSNVPJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47NO2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)39-29-30-27-37(38,28-30)40-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,38H2,1-6H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine?
1-[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 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 70362728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).