[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane

C28H60OSi6 — CID 101080431

IUPAC[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C23CC4CC(CC(C4)C2)C3)C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(33(10,11)12,34(13,14)15)28(25,29-32(7,8)9)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,16-21H2,1-15H3
InChIKeyHQAUVMHDZCDGHS-UHFFFAOYSA-N
MW581.30 g/mol
LogP9.22
Rot. Bonds7

About [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane

[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane (PubChem CID 101080431) has the molecular formula C28H60OSi6 and a molecular weight of 581.30 g/mol. Its IUPAC name is [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
PubChem CID101080431
Molecular FormulaC28H60OSi6
Molecular Weight581.30 g/mol
Exact Mass580.33
IUPAC Name[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C23CC4CC(CC(C4)C2)C3)C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(33(10,11)12,34(13,14)15)28(25,29-32(7,8)9)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,16-21H2,1-15H3
InChIKeyHQAUVMHDZCDGHS-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.30
LogP ≤ 59.22
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)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane (CID 101080431) is [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(C23CC4CC(CC(C4)C2)C3)C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
The InChIKey is HQAUVMHDZCDGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(33(10,11)12,34(13,14)15)28(25,29-32(7,8)9)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,16-21H2,1-15H3.
What are the key properties of [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane?
[2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane has a molecular weight of 581.30 g/mol, XLogP of 9.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-1,1,3,4-tetrakis(trimethylsilyl)silet-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 101080431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).