tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate

C25H37NO4Si — CID 59750865

IUPACtert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26(17-19-27)18-20-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3
InChIKeyVDHBSIBTVCBKBO-UHFFFAOYSA-N
MW443.66 g/mol
LogP3.79
Rot. Bonds8

About tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 59750865) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate
PubChem CID59750865
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Nametert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26(17-19-27)18-20-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3
InChIKeyVDHBSIBTVCBKBO-UHFFFAOYSA-N
XLogP3.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate (CID 59750865) is tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is VDHBSIBTVCBKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26(17-19-27)18-20-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 443.66 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 59750865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).