(2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol

C35H50O5Si — CID 11353695

About (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol

(2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol (PubChem CID 11353695) has the molecular formula C35H50O5Si and a molecular weight of 578.87 g/mol. Its IUPAC name is (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol.

Molecular Properties

• Compound Name: (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol
• PubChem CID: 11353695
• Molecular Formula: C35H50O5Si
• Molecular Weight: 578.87 g/mol
• Exact Mass: 578.34
• IUPAC Name: (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol
• SMILES: COCOC[C@@H](OCc1ccccc1)[C@@](C)(O)CCCC(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H50O5Si/c1-29(17-16-24-35(5,36)33(27-38-28-37-6)39-26-30-18-10-7-11-19-30)25-40-41(34(2,3)4,31-20-12-8-13-21-31)32-22-14-9-15-23-32/h7-15,18-23,29,33,36H,16-17,24-28H2,1-6H3/t29?,33-,35+/m1/s1
• InChIKey: GZGVSTFFGGLOQU-RZJLRSEESA-N
• XLogP: 6.33
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.87
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol?

The IUPAC name of (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol (CID 11353695) is (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol.

What is the SMILES notation for (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol?

The canonical SMILES for (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol is COCOC[C@@H](OCc1ccccc1)[C@@](C)(O)CCCC(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol?

The InChIKey is GZGVSTFFGGLOQU-RZJLRSEESA-N. The full InChI is InChI=1S/C35H50O5Si/c1-29(17-16-24-35(5,36)33(27-38-28-37-6)39-26-30-18-10-7-11-19-30)25-40-41(34(2,3)4,31-20-12-8-13-21-31)32-22-14-9-15-23-32/h7-15,18-23,29,33,36H,16-17,24-28H2,1-6H3/t29?,33-,35+/m1/s1.

What are the key properties of (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol?

(2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol has a molecular weight of 578.87 g/mol, XLogP of 6.33, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol is sourced from PubChem (CID 11353695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).