[(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

C40H67NO5Si3 — CID 101477304

IUPAC[(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
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]21
InChIInChI=1S/C40H67NO5Si3/c1-37(2,3)47(12,13)42-27-29-26-33(46-48(14,15)38(4,5)6)34-36-35(44-40(10,11)45-36)32(41(29)34)28-43-49(39(7,8)9,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29,32-36H,26-28H2,1-15H3/t29-,32-,33-,34-,35-,36+/m1/s1
InChIKeyINSMEMKCELDJHB-XHEHDTKVSA-N
MW726.24 g/mol
LogP8.32
Rot. Bonds10

About [(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

[(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 (PubChem CID 101477304) has the molecular formula C40H67NO5Si3 and a molecular weight of 726.24 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID101477304
Molecular FormulaC40H67NO5Si3
Molecular Weight726.24 g/mol
Exact Mass725.43
IUPAC Name[(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
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]21
InChIInChI=1S/C40H67NO5Si3/c1-37(2,3)47(12,13)42-27-29-26-33(46-48(14,15)38(4,5)6)34-36-35(44-40(10,11)45-36)32(41(29)34)28-43-49(39(7,8)9,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29,32-36H,26-28H2,1-15H3/t29-,32-,33-,34-,35-,36+/m1/s1
InChIKeyINSMEMKCELDJHB-XHEHDTKVSA-N
XLogP8.32
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.24
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

[(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane
CID 135012334
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
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
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
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
tert-butyl (3aR,4R,6R,6aS)-6-but-3-enyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 25023184
tert-butyl (3aR,4R,6S,6aS)-6-but-3-enyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 25023241
[(3aR,4S,8aS,8bS)-5-benzyl-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane chloride
CID 53494612
[(3aR,4S,8aS,8bS)-5-benzyl-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane
CID 53494613
(3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 71713267

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]21.
What is the InChIKey of [(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?
The InChIKey is INSMEMKCELDJHB-XHEHDTKVSA-N. The full InChI is InChI=1S/C40H67NO5Si3/c1-37(2,3)47(12,13)42-27-29-26-33(46-48(14,15)38(4,5)6)34-36-35(44-40(10,11)45-36)32(41(29)34)28-43-49(39(7,8)9,30-22-18-16-19-23-30)31-24-20-17-21-25-31/h16-25,29,32-36H,26-28H2,1-15H3/t29-,32-,33-,34-,35-,36+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 726.24 g/mol, XLogP of 8.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 101477304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).