tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane

C12H29ClOSi2 — CID 90417786

IUPACtert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCl)C(C)(C)C
InChIInChI=1S/C12H29ClOSi2/c1-11(2,3)15(7,8)14-16(9,10-13)12(4,5)6/h10H2,1-9H3
InChIKeySKHYBVCEVANOQL-UHFFFAOYSA-N
MW280.99 g/mol
LogP5.16
Rot. Bonds3

About tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane

tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane (PubChem CID 90417786) has the molecular formula C12H29ClOSi2 and a molecular weight of 280.99 g/mol. Its IUPAC name is tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane
PubChem CID90417786
Molecular FormulaC12H29ClOSi2
Molecular Weight280.99 g/mol
Exact Mass280.14
IUPAC Nametert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCl)C(C)(C)C
InChIInChI=1S/C12H29ClOSi2/c1-11(2,3)15(7,8)14-16(9,10-13)12(4,5)6/h10H2,1-9H3
InChIKeySKHYBVCEVANOQL-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.99
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane (CID 90417786) is tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[Si](C)(CCl)C(C)(C)C.
What is the InChIKey of tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane?
The InChIKey is SKHYBVCEVANOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29ClOSi2/c1-11(2,3)15(7,8)14-16(9,10-13)12(4,5)6/h10H2,1-9H3.
What are the key properties of tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane?
tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane has a molecular weight of 280.99 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 90417786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).