2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine

C20H39NO2Si2 — CID 91743544

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(CN)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H39NO2Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)18(15-21)23-25(9,10)20(4,5)6/h11-14,18H,15,21H2,1-10H3
InChIKeyXBWBCZSENFXJSF-UHFFFAOYSA-N
MW381.71 g/mol
LogP6.09
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine (PubChem CID 91743544) has the molecular formula C20H39NO2Si2 and a molecular weight of 381.71 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
PubChem CID91743544
Molecular FormulaC20H39NO2Si2
Molecular Weight381.71 g/mol
Exact Mass381.25
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(CN)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H39NO2Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)18(15-21)23-25(9,10)20(4,5)6/h11-14,18H,15,21H2,1-10H3
InChIKeyXBWBCZSENFXJSF-UHFFFAOYSA-N
XLogP6.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.71
LogP ≤ 56.09
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(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine (CID 91743544) is 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine is CC(C)(C)[Si](C)(C)Oc1ccc(C(CN)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The InChIKey is XBWBCZSENFXJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)18(15-21)23-25(9,10)20(4,5)6/h11-14,18H,15,21H2,1-10H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine has a molecular weight of 381.71 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine is sourced from PubChem (CID 91743544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).