tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane

C37H42O5Si — CID 10984826

About tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane (PubChem CID 10984826) has the molecular formula C37H42O5Si and a molecular weight of 594.82 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane
• PubChem CID: 10984826
• Molecular Formula: C37H42O5Si
• Molecular Weight: 594.82 g/mol
• Exact Mass: 594.28
• IUPAC Name: tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane
• SMILES: CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(OCc2ccccc2)=C[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C37H42O5Si/c1-37(2,3)43(31-21-13-7-14-22-31,32-23-15-8-16-24-32)41-28-35-33(39-26-29-17-9-5-10-18-29)25-34(36(38-4)42-35)40-27-30-19-11-6-12-20-30/h5-25,34-36H,26-28H2,1-4H3/t34-,35+,36-/m0/s1
• InChIKey: PYNNKGDSIXKRKP-PDHQKIGBSA-N
• XLogP: 6.62
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.82
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane (CID 10984826) is tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(OCc2ccccc2)=C[C@@H]1OCc1ccccc1.

What is the InChIKey of tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane?

The InChIKey is PYNNKGDSIXKRKP-PDHQKIGBSA-N. The full InChI is InChI=1S/C37H42O5Si/c1-37(2,3)43(31-21-13-7-14-22-31,32-23-15-8-16-24-32)41-28-35-33(39-26-29-17-9-5-10-18-29)25-34(36(38-4)42-35)40-27-30-19-11-6-12-20-30/h5-25,34-36H,26-28H2,1-4H3/t34-,35+,36-/m0/s1.

What are the key properties of tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane?

tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane has a molecular weight of 594.82 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10984826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).