tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate

C26H35NO5Si — CID 67466160

IUPACtert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)COC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO5Si/c1-25(2,3)32-24(29)27-20(17-30-19-23(27)28)18-31-33(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3/t20-/m1/s1
InChIKeyLAAAISURFJTUQT-HXUWFJFHSA-N
MW469.65 g/mol
LogP3.73
Rot. Bonds5

About tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate

tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate (PubChem CID 67466160) has the molecular formula C26H35NO5Si and a molecular weight of 469.65 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
PubChem CID67466160
Molecular FormulaC26H35NO5Si
Molecular Weight469.65 g/mol
Exact Mass469.23
IUPAC Nametert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)COC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO5Si/c1-25(2,3)32-24(29)27-20(17-30-19-23(27)28)18-31-33(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3/t20-/m1/s1
InChIKeyLAAAISURFJTUQT-HXUWFJFHSA-N
XLogP3.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.73
H-Bond Donors ≤ 50
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 (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate (CID 67466160) is tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate is CC(C)(C)OC(=O)N1C(=O)COC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate?
The InChIKey is LAAAISURFJTUQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H35NO5Si/c1-25(2,3)32-24(29)27-20(17-30-19-23(27)28)18-31-33(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3/t20-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate?
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate has a molecular weight of 469.65 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate is sourced from PubChem (CID 67466160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).