[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane

C26H52OSi4 — CID 101392211

IUPAC[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C26H52OSi4/c1-20-15-26(27-28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,29(6,7)8)30(9,10)11/h22-24H,12-19H2,1-11H3
InChIKeyJTVBVAYNQMLGRB-UHFFFAOYSA-N
MW493.05 g/mol
LogP8.35
Rot. Bonds5

About [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane

[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane (PubChem CID 101392211) has the molecular formula C26H52OSi4 and a molecular weight of 493.05 g/mol. Its IUPAC name is [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
PubChem CID101392211
Molecular FormulaC26H52OSi4
Molecular Weight493.05 g/mol
Exact Mass492.31
IUPAC Name[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C26H52OSi4/c1-20-15-26(27-28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,29(6,7)8)30(9,10)11/h22-24H,12-19H2,1-11H3
InChIKeyJTVBVAYNQMLGRB-UHFFFAOYSA-N
XLogP8.35
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 ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The IUPAC name of [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane (CID 101392211) is [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane.
What is the SMILES notation for [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The canonical SMILES for [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane is CC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The InChIKey is JTVBVAYNQMLGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52OSi4/c1-20-15-26(27-28(3,4)5,25-16-22-12-23(17-25)14-24(13-22)18-25)31(19-21(20)2,29(6,7)8)30(9,10)11/h22-24H,12-19H2,1-11H3.
What are the key properties of [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
[6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane has a molecular weight of 493.05 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-adamantyl)-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane is sourced from PubChem (CID 101392211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).