[(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

C27H39NO6Si — CID 10577366

IUPAC[(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
SMILESCOCO[C@@H]1[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ON2C[C@H]1OCOC
InChIInChI=1S/C27H39NO6Si/c1-27(2,3)35(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-18-21-16-24-26(32-20-30-5)25(31-19-29-4)17-28(24)34-21/h6-15,21,24-26H,16-20H2,1-5H3/t21-,24-,25-,26-/m1/s1
InChIKeyVIOWFXVLJWQOMP-JLZPKONASA-N
MW501.70 g/mol
LogP2.93
Rot. Bonds11

About [(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

[(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 (PubChem CID 10577366) has the molecular formula C27H39NO6Si and a molecular weight of 501.70 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10577366
Molecular FormulaC27H39NO6Si
Molecular Weight501.70 g/mol
Exact Mass501.25
IUPAC Name[(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
SMILESCOCO[C@@H]1[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ON2C[C@H]1OCOC
InChIInChI=1S/C27H39NO6Si/c1-27(2,3)35(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-18-21-16-24-26(32-20-30-5)25(31-19-29-4)17-28(24)34-21/h6-15,21,24-26H,16-20H2,1-5H3/t21-,24-,25-,26-/m1/s1
InChIKeyVIOWFXVLJWQOMP-JLZPKONASA-N
XLogP2.93
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(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 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
[(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
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-[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
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
tert-butyl-[[(1S,2S,3S,8S,9S)-11,11-dimethyl-3-[(2-methylpropan-2-yl)oxy]-7,10,12-trioxa-6-azatricyclo[6.5.0.02,6]tridecan-9-yl]methoxy]-diphenylsilane
CID 102251471

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COCO[C@@H]1[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ON2C[C@H]1OCOC.
What is the InChIKey of [(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?
The InChIKey is VIOWFXVLJWQOMP-JLZPKONASA-N. The full InChI is InChI=1S/C27H39NO6Si/c1-27(2,3)35(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-18-21-16-24-26(32-20-30-5)25(31-19-29-4)17-28(24)34-21/h6-15,21,24-26H,16-20H2,1-5H3/t21-,24-,25-,26-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 501.70 g/mol, XLogP of 2.93, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 10577366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).