[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate

C27H43NO4Si2 — CID 91742096

IUPAC[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(N)Cc1ccc(Oc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H43NO4Si2/c1-26(2,3)33(7,8)31-23-17-15-22(16-18-23)30-21-13-11-20(12-14-21)19-24(28)25(29)32-34(9,10)27(4,5)6/h11-18,24H,19,28H2,1-10H3
InChIKeyISMWHCGROLVCOJ-UHFFFAOYSA-N
MW501.82 g/mol
LogP7.28
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate

[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate (PubChem CID 91742096) has the molecular formula C27H43NO4Si2 and a molecular weight of 501.82 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
PubChem CID91742096
Molecular FormulaC27H43NO4Si2
Molecular Weight501.82 g/mol
Exact Mass501.27
IUPAC Name[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(N)Cc1ccc(Oc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H43NO4Si2/c1-26(2,3)33(7,8)31-23-17-15-22(16-18-23)30-21-13-11-20(12-14-21)19-24(28)25(29)32-34(9,10)27(4,5)6/h11-18,24H,19,28H2,1-10H3
InChIKeyISMWHCGROLVCOJ-UHFFFAOYSA-N
XLogP7.28
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.82
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate (CID 91742096) is [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate is CC(C)(C)[Si](C)(C)OC(=O)C(N)Cc1ccc(Oc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate?
The InChIKey is ISMWHCGROLVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO4Si2/c1-26(2,3)33(7,8)31-23-17-15-22(16-18-23)30-21-13-11-20(12-14-21)19-24(28)25(29)32-34(9,10)27(4,5)6/h11-18,24H,19,28H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate?
[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate has a molecular weight of 501.82 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate is sourced from PubChem (CID 91742096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).