tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

C24H50O4Si2 — CID 102333494

About tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (PubChem CID 102333494) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
• PubChem CID: 102333494
• Molecular Formula: C24H50O4Si2
• Molecular Weight: 458.83 g/mol
• Exact Mass: 458.32
• IUPAC Name: tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
• SMILES: C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[C@@]12OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C
• InChI: InChI=1S/C24H50O4Si2/c1-17-16-26-24(19(3)21(17)28-30(12,13)23(7,8)9)18(2)20(14-15-25-24)27-29(10,11)22(4,5)6/h17-21H,14-16H2,1-13H3/t17-,18-,19+,20+,21+,24+/m0/s1
• InChIKey: BXCAHLCLJUXDPN-CRMQTLGCSA-N
• XLogP: 6.82
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.83
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (CID 102333494) is tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[C@@]12OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C.

What is the InChIKey of tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?

The InChIKey is BXCAHLCLJUXDPN-CRMQTLGCSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-17-16-26-24(19(3)21(17)28-30(12,13)23(7,8)9)18(2)20(14-15-25-24)27-29(10,11)22(4,5)6/h17-21H,14-16H2,1-13H3/t17-,18-,19+,20+,21+,24+/m0/s1.

What are the key properties of tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?

tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane has a molecular weight of 458.83 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 102333494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).