tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane

C17H38Si — CID 123259940

IUPACtert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane
SMILESCC(C)(C)CC(C[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38Si/c1-15(2,3)12-14(16(4,5)6)13-18(10,11)17(7,8)9/h14H,12-13H2,1-11H3
InChIKeyJDKAPANQNOZTKQ-UHFFFAOYSA-N
MW270.58 g/mol
LogP6.59
Rot. Bonds3

About tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane

tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane (PubChem CID 123259940) has the molecular formula C17H38Si and a molecular weight of 270.58 g/mol. Its IUPAC name is tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane
PubChem CID123259940
Molecular FormulaC17H38Si
Molecular Weight270.58 g/mol
Exact Mass270.27
IUPAC Nametert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane
SMILESCC(C)(C)CC(C[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38Si/c1-15(2,3)12-14(16(4,5)6)13-18(10,11)17(7,8)9/h14H,12-13H2,1-11H3
InChIKeyJDKAPANQNOZTKQ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.58
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane (CID 123259940) is tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane is CC(C)(C)CC(C[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane?
The InChIKey is JDKAPANQNOZTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38Si/c1-15(2,3)12-14(16(4,5)6)13-18(10,11)17(7,8)9/h14H,12-13H2,1-11H3.
What are the key properties of tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane?
tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane has a molecular weight of 270.58 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-tert-butyl-4,4-dimethylpentyl)-dimethylsilane is sourced from PubChem (CID 123259940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).