[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane

C18H42O2Si4 — CID 22123658

IUPAC[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane
SMILESCC1=C([Si](C)(C)C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C1CC(C)(C)C
InChIInChI=1S/C18H42O2Si4/c1-15-16(14-18(2,3)4)24(19-22(8,9)10,20-23(11,12)13)17(15)21(5,6)7/h16H,14H2,1-13H3
InChIKeyQRFJYCRMLSQVHL-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.68
Rot. Bonds6

About [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane

[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane (PubChem CID 22123658) has the molecular formula C18H42O2Si4 and a molecular weight of 402.88 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane
PubChem CID22123658
Molecular FormulaC18H42O2Si4
Molecular Weight402.88 g/mol
Exact Mass402.23
IUPAC Name[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane
SMILESCC1=C([Si](C)(C)C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C1CC(C)(C)C
InChIInChI=1S/C18H42O2Si4/c1-15-16(14-18(2,3)4)24(19-22(8,9)10,20-23(11,12)13)17(15)21(5,6)7/h16H,14H2,1-13H3
InChIKeyQRFJYCRMLSQVHL-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane?
The IUPAC name of [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane (CID 22123658) is [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane.
What is the SMILES notation for [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane?
The canonical SMILES for [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane is CC1=C([Si](C)(C)C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C1CC(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane?
The InChIKey is QRFJYCRMLSQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O2Si4/c1-15-16(14-18(2,3)4)24(19-22(8,9)10,20-23(11,12)13)17(15)21(5,6)7/h16H,14H2,1-13H3.
What are the key properties of [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane?
[2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane has a molecular weight of 402.88 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)-3-methyl-1,1-bis(trimethylsilyloxy)-2H-silet-4-yl]-trimethylsilane is sourced from PubChem (CID 22123658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).