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

C34H49NO8Si — CID 135028276

IUPACtert-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
SMILESCOC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(OC)[C@@H]1C[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H]([C@H]3COC(C)(C)O3)N2O1
InChIInChI=1S/C34H49NO8Si/c1-31(2,3)44(23-16-12-10-13-17-23,24-18-14-11-15-19-24)39-22-34(36-8,37-9)27-20-25-29-30(42-33(6,7)41-29)28(35(25)43-27)26-21-38-32(4,5)40-26/h10-19,25-30H,20-22H2,1-9H3/t25-,26+,27-,28-,29+,30-/m0/s1
InChIKeyAMKDGKCPWPYPBG-GDHIHDRFSA-N
MW627.85 g/mol
LogP3.98
Rot. Bonds9

About 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

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 (PubChem CID 135028276) has the molecular formula C34H49NO8Si and a molecular weight of 627.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID135028276
Molecular FormulaC34H49NO8Si
Molecular Weight627.85 g/mol
Exact Mass627.32
IUPAC Nametert-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
SMILESCOC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(OC)[C@@H]1C[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H]([C@H]3COC(C)(C)O3)N2O1
InChIInChI=1S/C34H49NO8Si/c1-31(2,3)44(23-16-12-10-13-17-23,24-18-14-11-15-19-24)39-22-34(36-8,37-9)27-20-25-29-30(42-33(6,7)41-29)28(35(25)43-27)26-21-38-32(4,5)40-26/h10-19,25-30H,20-22H2,1-9H3/t25-,26+,27-,28-,29+,30-/m0/s1
InChIKeyAMKDGKCPWPYPBG-GDHIHDRFSA-N
XLogP3.98
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.85
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol
CID 11146818
(3R,3aR,6aR)-2-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 11365715
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(OC)[C@@H]1C[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H]([C@H]3COC(C)(C)O3)N2O1.
What is the InChIKey of 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?
The InChIKey is AMKDGKCPWPYPBG-GDHIHDRFSA-N. The full InChI is InChI=1S/C34H49NO8Si/c1-31(2,3)44(23-16-12-10-13-17-23,24-18-14-11-15-19-24)39-22-34(36-8,37-9)27-20-25-29-30(42-33(6,7)41-29)28(35(25)43-27)26-21-38-32(4,5)40-26/h10-19,25-30H,20-22H2,1-9H3/t25-,26+,27-,28-,29+,30-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 627.85 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135028276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).