[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane

C28H60OSi6 — CID 101080427

IUPAC[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C(C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(25,29-34(13,14)15)28(32(7,8)9,33(10,11)12)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,16-21H2,1-15H3
InChIKeyWQUGDBNSBLWSHC-UHFFFAOYSA-N
MW581.30 g/mol
LogP9.64
Rot. Bonds8

About [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane

[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane (PubChem CID 101080427) has the molecular formula C28H60OSi6 and a molecular weight of 581.30 g/mol. Its IUPAC name is [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane
PubChem CID101080427
Molecular FormulaC28H60OSi6
Molecular Weight581.30 g/mol
Exact Mass580.33
IUPAC Name[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C(C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(25,29-34(13,14)15)28(32(7,8)9,33(10,11)12)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,16-21H2,1-15H3
InChIKeyWQUGDBNSBLWSHC-UHFFFAOYSA-N
XLogP9.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.30
LogP ≤ 59.64
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 [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane?
The IUPAC name of [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane (CID 101080427) is [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane?
The canonical SMILES for [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane is C[Si](C)(C)O[Si]1(C(C23CC4CC(CC(C4)C2)C3)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane?
The InChIKey is WQUGDBNSBLWSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60OSi6/c1-30(2,3)25-26(31(4,5)6)35(25,29-34(13,14)15)28(32(7,8)9,33(10,11)12)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 [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane?
[1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane has a molecular weight of 581.30 g/mol, XLogP of 9.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-adamantyl-bis(trimethylsilyl)methyl]-2,3-bis(trimethylsilyl)siliren-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101080427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).