tert-butyl-but-3-ynoxy-diphenylsilane

C20H24OSi — CID 613593

IUPACtert-butyl-but-3-ynoxy-diphenylsilane
SMILESC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7-16H,6,17H2,2-4H3
InChIKeyKVUMNOYKAMFTTN-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl-but-3-ynoxy-diphenylsilane

tert-butyl-but-3-ynoxy-diphenylsilane (PubChem CID 613593) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is tert-butyl-but-3-ynoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-but-3-ynoxy-diphenylsilane
PubChem CID613593
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Nametert-butyl-but-3-ynoxy-diphenylsilane
SMILESC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7-16H,6,17H2,2-4H3
InChIKeyKVUMNOYKAMFTTN-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.59
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-but-3-ynoxy-diphenylsilane?
The IUPAC name of tert-butyl-but-3-ynoxy-diphenylsilane (CID 613593) is tert-butyl-but-3-ynoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-but-3-ynoxy-diphenylsilane?
The canonical SMILES for tert-butyl-but-3-ynoxy-diphenylsilane is C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-but-3-ynoxy-diphenylsilane?
The InChIKey is KVUMNOYKAMFTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7-16H,6,17H2,2-4H3.
What are the key properties of tert-butyl-but-3-ynoxy-diphenylsilane?
tert-butyl-but-3-ynoxy-diphenylsilane has a molecular weight of 308.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-but-3-ynoxy-diphenylsilane is sourced from PubChem (CID 613593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).