hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane

C29H42O3Si — CID 70903447

About hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane

hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane (PubChem CID 70903447) has the molecular formula C29H42O3Si and a molecular weight of 466.74 g/mol. Its IUPAC name is hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane.

Molecular Properties

• Compound Name: hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane
• PubChem CID: 70903447
• Molecular Formula: C29H42O3Si
• Molecular Weight: 466.74 g/mol
• Exact Mass: 466.29
• IUPAC Name: hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane
• SMILES: COCC1C=CC[C@@H](C[C@@H](C)CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O1
• InChI: InChI=1S/C29H42O3Si/c1-24(22-25-15-13-16-26(32-25)23-31-4)14-11-12-21-29(2,3)33(30,27-17-7-5-8-18-27)28-19-9-6-10-20-28/h5-10,13,16-20,24-26,30H,11-12,14-15,21-23H2,1-4H3/t24-,25-,26?/m0/s1
• InChIKey: BDRWCYNOMUFRDS-NPGWBMRXSA-N
• XLogP: 5.47
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.74
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane?

The IUPAC name of hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane (CID 70903447) is hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane.

What is the SMILES notation for hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane?

The canonical SMILES for hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane is COCC1C=CC[C@@H](C[C@@H](C)CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O1.

What is the InChIKey of hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane?

The InChIKey is BDRWCYNOMUFRDS-NPGWBMRXSA-N. The full InChI is InChI=1S/C29H42O3Si/c1-24(22-25-15-13-16-26(32-25)23-31-4)14-11-12-21-29(2,3)33(30,27-17-7-5-8-18-27)28-19-9-6-10-20-28/h5-10,13,16-20,24-26,30H,11-12,14-15,21-23H2,1-4H3/t24-,25-,26?/m0/s1.

What are the key properties of hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane?

hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane has a molecular weight of 466.74 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane is sourced from PubChem (CID 70903447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).