[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane

C21H48OSi2 — CID 123692781

IUPAC[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane
SMILESCCC(C)(C)CC(C[Si](C)(C)O[Si](C)(C)C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C21H48OSi2/c1-14-21(7,8)15-19(17(2)18(3)20(4,5)6)16-24(12,13)22-23(9,10)11/h17-19H,14-16H2,1-13H3
InChIKeyFJGYLHOGOCKOJK-UHFFFAOYSA-N
MW372.79 g/mol
LogP7.80
Rot. Bonds9

About [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane

[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane (PubChem CID 123692781) has the molecular formula C21H48OSi2 and a molecular weight of 372.79 g/mol. Its IUPAC name is [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane
PubChem CID123692781
Molecular FormulaC21H48OSi2
Molecular Weight372.79 g/mol
Exact Mass372.32
IUPAC Name[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane
SMILESCCC(C)(C)CC(C[Si](C)(C)O[Si](C)(C)C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C21H48OSi2/c1-14-21(7,8)15-19(17(2)18(3)20(4,5)6)16-24(12,13)22-23(9,10)11/h17-19H,14-16H2,1-13H3
InChIKeyFJGYLHOGOCKOJK-UHFFFAOYSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.79
LogP ≤ 57.80
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-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane?
The IUPAC name of [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane (CID 123692781) is [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane.
What is the SMILES notation for [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane?
The canonical SMILES for [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane is CCC(C)(C)CC(C[Si](C)(C)O[Si](C)(C)C)C(C)C(C)C(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane?
The InChIKey is FJGYLHOGOCKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48OSi2/c1-14-21(7,8)15-19(17(2)18(3)20(4,5)6)16-24(12,13)22-23(9,10)11/h17-19H,14-16H2,1-13H3.
What are the key properties of [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane?
[2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane has a molecular weight of 372.79 g/mol, XLogP of 7.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane is sourced from PubChem (CID 123692781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).