(2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol

C27H46O6Si — CID 10553266

About (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol

(2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol (PubChem CID 10553266) has the molecular formula C27H46O6Si and a molecular weight of 494.75 g/mol. Its IUPAC name is (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol.

Molecular Properties

• Compound Name: (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
• PubChem CID: 10553266
• Molecular Formula: C27H46O6Si
• Molecular Weight: 494.75 g/mol
• Exact Mass: 494.31
• IUPAC Name: (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol
• SMILES: COCO[C@@](C)(CC#C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CCOCOCc1ccccc1
• InChI: InChI=1S/C27H46O6Si/c1-23(33-34(7,8)26(2,3)4)19-25(28)15-12-16-27(5,32-21-29-6)17-18-30-22-31-20-24-13-10-9-11-14-24/h9-11,13-14,23,25,28H,16-22H2,1-8H3/t23-,25-,27+/m1/s1
• InChIKey: XOTZDJKUWOAYTC-HYZYYIOASA-N
• XLogP: 5.50
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.75
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?

The IUPAC name of (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol (CID 10553266) is (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol.

What is the SMILES notation for (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?

The canonical SMILES for (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol is COCO[C@@](C)(CC#C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CCOCOCc1ccccc1.

What is the InChIKey of (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?

The InChIKey is XOTZDJKUWOAYTC-HYZYYIOASA-N. The full InChI is InChI=1S/C27H46O6Si/c1-23(33-34(7,8)26(2,3)4)19-25(28)15-12-16-27(5,32-21-29-6)17-18-30-22-31-20-24-13-10-9-11-14-24/h9-11,13-14,23,25,28H,16-22H2,1-8H3/t23-,25-,27+/m1/s1.

What are the key properties of (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol?

(2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol has a molecular weight of 494.75 g/mol, XLogP of 5.50, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,8S)-2-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-8-methyl-10-(phenylmethoxymethoxy)dec-5-yn-4-ol is sourced from PubChem (CID 10553266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).