(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

C26H54O6Si2 — CID 10529933

About (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 10529933) has the molecular formula C26H54O6Si2 and a molecular weight of 518.88 g/mol. Its IUPAC name is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

• Compound Name: (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
• PubChem CID: 10529933
• Molecular Formula: C26H54O6Si2
• Molecular Weight: 518.88 g/mol
• Exact Mass: 518.35
• IUPAC Name: (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
• SMILES: CC[Si](CC)(CC)OCC[C@H]1C[C@](C)(O)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCO)O2)O1
• InChI: InChI=1S/C26H54O6Si2/c1-10-34(11-2,12-3)29-16-14-22-18-25(7,28)20-26(31-22)19-23(17-21(30-26)13-15-27)32-33(8,9)24(4,5)6/h21-23,27-28H,10-20H2,1-9H3/t21-,22-,23-,25-,26+/m0/s1
• InChIKey: ZEXVXVZIZOFIIA-QKYIWSEVSA-N
• XLogP: 5.98
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.88
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?

The IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (CID 10529933) is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.

What is the SMILES notation for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?

The canonical SMILES for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is CC[Si](CC)(CC)OCC[C@H]1C[C@](C)(O)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCO)O2)O1.

What is the InChIKey of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?

The InChIKey is ZEXVXVZIZOFIIA-QKYIWSEVSA-N. The full InChI is InChI=1S/C26H54O6Si2/c1-10-34(11-2,12-3)29-16-14-22-18-25(7,28)20-26(31-22)19-23(17-21(30-26)13-15-27)32-33(8,9)24(4,5)6/h21-23,27-28H,10-20H2,1-9H3/t21-,22-,23-,25-,26+/m0/s1.

What are the key properties of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?

(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 518.88 g/mol, XLogP of 5.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 10529933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).