tert-butyl(prop-2-ynoxy)silane

C7H14OSi — CID 123481844

IUPACtert-butyl(prop-2-ynoxy)silane
SMILESC#CCO[SiH2]C(C)(C)C
InChIInChI=1S/C7H14OSi/c1-5-6-8-9-7(2,3)4/h1H,6,9H2,2-4H3
InChIKeyHGXCWHKJNCETSW-UHFFFAOYSA-N
MW142.27 g/mol
LogP0.94
Rot. Bonds2

About tert-butyl(prop-2-ynoxy)silane

tert-butyl(prop-2-ynoxy)silane (PubChem CID 123481844) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is tert-butyl(prop-2-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl(prop-2-ynoxy)silane
PubChem CID123481844
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Nametert-butyl(prop-2-ynoxy)silane
SMILESC#CCO[SiH2]C(C)(C)C
InChIInChI=1S/C7H14OSi/c1-5-6-8-9-7(2,3)4/h1H,6,9H2,2-4H3
InChIKeyHGXCWHKJNCETSW-UHFFFAOYSA-N
XLogP0.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(prop-2-ynoxy)silane?
The IUPAC name of tert-butyl(prop-2-ynoxy)silane (CID 123481844) is tert-butyl(prop-2-ynoxy)silane.
What is the SMILES notation for tert-butyl(prop-2-ynoxy)silane?
The canonical SMILES for tert-butyl(prop-2-ynoxy)silane is C#CCO[SiH2]C(C)(C)C.
What is the InChIKey of tert-butyl(prop-2-ynoxy)silane?
The InChIKey is HGXCWHKJNCETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-5-6-8-9-7(2,3)4/h1H,6,9H2,2-4H3.
What are the key properties of tert-butyl(prop-2-ynoxy)silane?
tert-butyl(prop-2-ynoxy)silane has a molecular weight of 142.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(prop-2-ynoxy)silane is sourced from PubChem (CID 123481844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).