[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane

C26H52OSi4 — CID 101190644

IUPAC[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
SMILESCC(C)(C)C1=C[Si]([Si](C)(C)C)([Si](C)(C)C)C1(O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H52OSi4/c1-24(2,3)23-19-31(29(7,8)9,30(10,11)12)26(23,27-28(4,5)6)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3
InChIKeyYDTQQBYGCMAEJE-UHFFFAOYSA-N
MW493.05 g/mol
LogP8.14
Rot. Bonds5

About [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane

[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane (PubChem CID 101190644) has the molecular formula C26H52OSi4 and a molecular weight of 493.05 g/mol. Its IUPAC name is [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
PubChem CID101190644
Molecular FormulaC26H52OSi4
Molecular Weight493.05 g/mol
Exact Mass492.31
IUPAC Name[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
SMILESCC(C)(C)C1=C[Si]([Si](C)(C)C)([Si](C)(C)C)C1(O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H52OSi4/c1-24(2,3)23-19-31(29(7,8)9,30(10,11)12)26(23,27-28(4,5)6)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3
InChIKeyYDTQQBYGCMAEJE-UHFFFAOYSA-N
XLogP8.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane (CID 101190644) is [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane is CC(C)(C)C1=C[Si]([Si](C)(C)C)([Si](C)(C)C)C1(O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The InChIKey is YDTQQBYGCMAEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52OSi4/c1-24(2,3)23-19-31(29(7,8)9,30(10,11)12)26(23,27-28(4,5)6)25-16-20-13-21(17-25)15-22(14-20)18-25/h19-22H,13-18H2,1-12H3.
What are the key properties of [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
[2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane has a molecular weight of 493.05 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-3-tert-butyl-1,1-bis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 101190644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).