tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane

C31H47NO5Si2 — CID 102127444

IUPACtert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H]3[C@@H](OCC[Si](C)(C)C)[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CON3C[C@@H]2O1
InChIInChI=1S/C31H47NO5Si2/c1-30(2,3)39(23-15-11-9-12-16-23,24-17-13-10-14-18-24)37-26-22-34-32-21-25-29(36-31(4,5)35-25)27(32)28(26)33-19-20-38(6,7)8/h9-18,25-29H,19-22H2,1-8H3/t25-,26+,27+,28-,29-/m0/s1
InChIKeyDYHXWYQZRCQMRM-ZKZHHWRMSA-N
MW569.89 g/mol
LogP4.80
Rot. Bonds8

About tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane

tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane (PubChem CID 102127444) has the molecular formula C31H47NO5Si2 and a molecular weight of 569.89 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane
PubChem CID102127444
Molecular FormulaC31H47NO5Si2
Molecular Weight569.89 g/mol
Exact Mass569.30
IUPAC Nametert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H]3[C@@H](OCC[Si](C)(C)C)[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CON3C[C@@H]2O1
InChIInChI=1S/C31H47NO5Si2/c1-30(2,3)39(23-15-11-9-12-16-23,24-17-13-10-14-18-24)37-26-22-34-32-21-25-29(36-31(4,5)35-25)27(32)28(26)33-19-20-38(6,7)8/h9-18,25-29H,19-22H2,1-8H3/t25-,26+,27+,28-,29-/m0/s1
InChIKeyDYHXWYQZRCQMRM-ZKZHHWRMSA-N
XLogP4.80
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.89
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane with MolForge

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Related Compounds

[(2R,3aR,4R,5R)-4,5-bis(methoxymethoxy)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10577366
[(2S,3aS,4S,5S)-4,5-bis(methoxymethoxy)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994721
tert-butyl-[2-[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]ethoxy]-diphenylsilane
CID 11081133
tert-butyl-[[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
CID 11812463

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane (CID 102127444) is tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane is CC1(C)O[C@@H]2[C@H]3[C@@H](OCC[Si](C)(C)C)[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CON3C[C@@H]2O1.
What is the InChIKey of tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane?
The InChIKey is DYHXWYQZRCQMRM-ZKZHHWRMSA-N. The full InChI is InChI=1S/C31H47NO5Si2/c1-30(2,3)39(23-15-11-9-12-16-23,24-17-13-10-14-18-24)37-26-22-34-32-21-25-29(36-31(4,5)35-25)27(32)28(26)33-19-20-38(6,7)8/h9-18,25-29H,19-22H2,1-8H3/t25-,26+,27+,28-,29-/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane?
tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane has a molecular weight of 569.89 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,6S,11R,12R)-4,4-dimethyl-12-(2-trimethylsilylethoxy)-3,5,9-trioxa-8-azatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-diphenylsilane is sourced from PubChem (CID 102127444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).