tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate

C32H47NO5Si — CID 134865039

IUPACtert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CCC[C@@H](CO)O2
InChIInChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-25(15-13-21-32(33)22-14-16-26(23-34)37-32)24-36-39(31(4,5)6,27-17-9-7-10-18-27)28-19-11-8-12-20-28/h7-12,17-20,25-26,34H,13-16,21-24H2,1-6H3/t25?,26-,32-/m0/s1
InChIKeyZDMOHFPHBSZOJO-IDPHLIELSA-N
MW553.82 g/mol
LogP5.61
Rot. Bonds6

About tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate

tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate (PubChem CID 134865039) has the molecular formula C32H47NO5Si and a molecular weight of 553.82 g/mol. Its IUPAC name is tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate
PubChem CID134865039
Molecular FormulaC32H47NO5Si
Molecular Weight553.82 g/mol
Exact Mass553.32
IUPAC Nametert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CCC[C@@H](CO)O2
InChIInChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-25(15-13-21-32(33)22-14-16-26(23-34)37-32)24-36-39(31(4,5)6,27-17-9-7-10-18-27)28-19-11-8-12-20-28/h7-12,17-20,25-26,34H,13-16,21-24H2,1-6H3/t25?,26-,32-/m0/s1
InChIKeyZDMOHFPHBSZOJO-IDPHLIELSA-N
XLogP5.61
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
tert-butyl (2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 57755406
Tert-butyl 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate
CID 71226318
(2R,5R)-tert-butyl 5-(((tert-butyldiphenylsilyl)oxy)methyl)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 71226320
tert-butyl (2R,3S)-3-{[tert-butyl(diphenyl)silyl]oxy}-2-[(2-hydroxyethoxy)methyl]pyrrolidine-1-carboxylate
CID 86634395
(2S)-tert-Butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-methoxypiperidine-1-carboxylate
CID 86700549
(2S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-hydroxypiperidine-1-carboxylate
CID 86700550
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylic acid
CID 89872561
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
CID 89872566
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
CID 89872579
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylic acid
CID 89872689

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate?
The IUPAC name of tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate (CID 134865039) is tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate.
What is the SMILES notation for tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate?
The canonical SMILES for tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate is CC(C)(C)OC(=O)N1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC[C@]12CCC[C@@H](CO)O2.
What is the InChIKey of tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate?
The InChIKey is ZDMOHFPHBSZOJO-IDPHLIELSA-N. The full InChI is InChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-25(15-13-21-32(33)22-14-16-26(23-34)37-32)24-36-39(31(4,5)6,27-17-9-7-10-18-27)28-19-11-8-12-20-28/h7-12,17-20,25-26,34H,13-16,21-24H2,1-6H3/t25?,26-,32-/m0/s1.
What are the key properties of tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate?
tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate has a molecular weight of 553.82 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate is sourced from PubChem (CID 134865039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).