[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane

C28H58OSi5 — CID 102009316

IUPAC[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](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/C28H58OSi5/c1-26(2,3)33(13,14)25-21-34(31(7,8)9,32(10,11)12)28(25,29-30(4,5)6)27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,15-20H2,1-14H3
InChIKeyRSZYQLNNILRFLF-UHFFFAOYSA-N
MW551.20 g/mol
LogP9.14
Rot. Bonds6

About [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane

[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane (PubChem CID 102009316) has the molecular formula C28H58OSi5 and a molecular weight of 551.20 g/mol. Its IUPAC name is [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane
PubChem CID102009316
Molecular FormulaC28H58OSi5
Molecular Weight551.20 g/mol
Exact Mass550.33
IUPAC Name[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](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/C28H58OSi5/c1-26(2,3)33(13,14)25-21-34(31(7,8)9,32(10,11)12)28(25,29-30(4,5)6)27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,15-20H2,1-14H3
InChIKeyRSZYQLNNILRFLF-UHFFFAOYSA-N
XLogP9.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.20
LogP ≤ 59.14
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)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane (CID 102009316) is [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane is CC(C)(C)[Si](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)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane?
The InChIKey is RSZYQLNNILRFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58OSi5/c1-26(2,3)33(13,14)25-21-34(31(7,8)9,32(10,11)12)28(25,29-30(4,5)6)27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,15-20H2,1-14H3.
What are the key properties of [2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane?
[2-(1-adamantyl)-1,1-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane has a molecular weight of 551.20 g/mol, XLogP of 9.14, 6 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-bis(trimethylsilyl)-2-trimethylsilyloxysilet-3-yl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102009316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).