(2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol

C34H54O3Si2 — CID 11124621

About (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol

(2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol (PubChem CID 11124621) has the molecular formula C34H54O3Si2 and a molecular weight of 566.98 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol.

Molecular Properties

• Compound Name: (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol
• PubChem CID: 11124621
• Molecular Formula: C34H54O3Si2
• Molecular Weight: 566.98 g/mol
• Exact Mass: 566.36
• IUPAC Name: (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol
• SMILES: CC(C)[Si](OCCCC#CC[C@H](O)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H54O3Si2/c1-27(2)38(28(3)4,29(5)6)36-26-20-12-11-19-25-33(35)30(7)37-39(34(8,9)10,31-21-15-13-16-22-31)32-23-17-14-18-24-32/h13-18,21-24,27-30,33,35H,12,20,25-26H2,1-10H3/t30-,33+/m1/s1
• InChIKey: DKGFXBXHFVYOBZ-NDKRRWIDSA-N
• XLogP: 7.68
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.98
LogP ≤ 5	7.68
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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol?

The IUPAC name of (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol (CID 11124621) is (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol.

What is the SMILES notation for (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol?

The canonical SMILES for (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol is CC(C)[Si](OCCCC#CC[C@H](O)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol?

The InChIKey is DKGFXBXHFVYOBZ-NDKRRWIDSA-N. The full InChI is InChI=1S/C34H54O3Si2/c1-27(2)38(28(3)4,29(5)6)36-26-20-12-11-19-25-33(35)30(7)37-39(34(8,9)10,31-21-15-13-16-22-31)32-23-17-14-18-24-32/h13-18,21-24,27-30,33,35H,12,20,25-26H2,1-10H3/t30-,33+/m1/s1.

What are the key properties of (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol?

(2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol has a molecular weight of 566.98 g/mol, XLogP of 7.68, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol is sourced from PubChem (CID 11124621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).