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

C26H35NO4Si — CID 11812463

IUPACtert-butyl-[[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CN3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@@H]23)O1
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)28-18-19-16-22-24-23(17-27(22)31-19)29-26(4,5)30-24/h6-15,19,22-24H,16-18H2,1-5H3/t19-,22-,23+,24-/m0/s1
InChIKeySZRZXPBJDSWDFP-LSUHJGNXSA-N
MW453.66 g/mol
LogP3.47
Rot. Bonds5

About 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

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 (PubChem CID 11812463) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
PubChem CID11812463
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nametert-butyl-[[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CN3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@@H]23)O1
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)28-18-19-16-22-24-23(17-27(22)31-19)29-26(4,5)30-24/h6-15,19,22-24H,16-18H2,1-5H3/t19-,22-,23+,24-/m0/s1
InChIKeySZRZXPBJDSWDFP-LSUHJGNXSA-N
XLogP3.47
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

tert-butyl-[2-[(1S,2R,6S,7S,10S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]-2,2-dimethoxyethoxy]-diphenylsilane
CID 135028276
(1S)-1-[(3aS,4S,6S,7S,8aS,8bR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]ethane-1,2-diol
CID 135028278
[(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
ethyl 2-[(1R,2R,6S,7S,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate
CID 21772849
tert-butyl-[[(1S,2S,6R,7R,10S)-4,4-dimethyl-7-(phenylselanylmethyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
CID 21772850
[(3aR,4R,6S,8S,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477298
[(3aR,4R,6R,8S,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477299
[(3aR,4R,6S,8R,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477303
[(3aR,4R,6R,8R,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477304
Tert-butyl-[2-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]-2,2-dimethoxyethoxy]-diphenylsilane
CID 101892480

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)O[C@@H]2[C@@H](CN3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@@H]23)O1.
What is the InChIKey of 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?
The InChIKey is SZRZXPBJDSWDFP-LSUHJGNXSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)28-18-19-16-22-24-23(17-27(22)31-19)29-26(4,5)30-24/h6-15,19,22-24H,16-18H2,1-5H3/t19-,22-,23+,24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 453.66 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11812463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).