tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane

C12H28OSi — CID 57142566

IUPACtert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28OSi/c1-10(11(2,3)4)13-14(8,9)12(5,6)7/h10H,1-9H3
InChIKeyCISONTWPABEEIZ-UHFFFAOYSA-N
MW216.44 g/mol
LogP4.44
Rot. Bonds2

About tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane

tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane (PubChem CID 57142566) has the molecular formula C12H28OSi and a molecular weight of 216.44 g/mol. Its IUPAC name is tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane
PubChem CID57142566
Molecular FormulaC12H28OSi
Molecular Weight216.44 g/mol
Exact Mass216.19
IUPAC Nametert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28OSi/c1-10(11(2,3)4)13-14(8,9)12(5,6)7/h10H,1-9H3
InChIKeyCISONTWPABEEIZ-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 54.44
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 tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane (CID 57142566) is tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane?
The InChIKey is CISONTWPABEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi/c1-10(11(2,3)4)13-14(8,9)12(5,6)7/h10H,1-9H3.
What are the key properties of tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane?
tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane has a molecular weight of 216.44 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-dimethylbutan-2-yloxy)-dimethylsilane is sourced from PubChem (CID 57142566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).