1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine

C35H45NO2Si2 — CID 173183511

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H45NO2Si2/c1-34(2,3)33(38-39(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32(36)27-37-40(35(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-33,39H,27,36H2,1-6H3
InChIKeyZZGVZYVTIGNMCT-UHFFFAOYSA-N
MW567.92 g/mol
LogP4.86
Rot. Bonds10

About 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine

1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine (PubChem CID 173183511) has the molecular formula C35H45NO2Si2 and a molecular weight of 567.92 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine
PubChem CID173183511
Molecular FormulaC35H45NO2Si2
Molecular Weight567.92 g/mol
Exact Mass567.30
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H45NO2Si2/c1-34(2,3)33(38-39(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32(36)27-37-40(35(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-33,39H,27,36H2,1-6H3
InChIKeyZZGVZYVTIGNMCT-UHFFFAOYSA-N
XLogP4.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.92
LogP ≤ 54.86
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 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine (CID 173183511) is 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine?
The InChIKey is ZZGVZYVTIGNMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO2Si2/c1-34(2,3)33(38-39(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32(36)27-37-40(35(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-33,39H,27,36H2,1-6H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine?
1-[tert-butyl(diphenyl)silyl]oxy-3-diphenylsilyloxy-4,4-dimethylpentan-2-amine has a molecular weight of 567.92 g/mol, XLogP of 4.86, 10 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-diphenylsilyloxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 173183511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).