tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane

C13H28OSi2 — CID 14006074

IUPACtert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6/h11-12H2,1-8H3
InChIKeyHGGDXGVHCPBOJL-UHFFFAOYSA-N
MW256.54 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane

tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane (PubChem CID 14006074) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane
PubChem CID14006074
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Nametert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6/h11-12H2,1-8H3
InChIKeyHGGDXGVHCPBOJL-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane (CID 14006074) is tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane is CC(C)(C)[Si](C)(C)OCC#CC[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane?
The InChIKey is HGGDXGVHCPBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi2/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6/h11-12H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane?
tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane has a molecular weight of 256.54 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-trimethylsilylbut-2-ynoxy)silane is sourced from PubChem (CID 14006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).