tert-butyl-pent-4-ynoxy-diphenylsilane

C21H26OSi — CID 5461495

IUPACtert-butyl-pent-4-ynoxy-diphenylsilane
SMILESC#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSi/c1-5-6-13-18-22-23(21(2,3)4,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-17H,6,13,18H2,2-4H3
InChIKeyLFOHWUQSMHJNEE-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.98
Rot. Bonds6

About tert-butyl-pent-4-ynoxy-diphenylsilane

tert-butyl-pent-4-ynoxy-diphenylsilane (PubChem CID 5461495) has the molecular formula C21H26OSi and a molecular weight of 322.52 g/mol. Its IUPAC name is tert-butyl-pent-4-ynoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-pent-4-ynoxy-diphenylsilane
PubChem CID5461495
Molecular FormulaC21H26OSi
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Nametert-butyl-pent-4-ynoxy-diphenylsilane
SMILESC#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSi/c1-5-6-13-18-22-23(21(2,3)4,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-17H,6,13,18H2,2-4H3
InChIKeyLFOHWUQSMHJNEE-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.98
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-pent-4-ynoxy-diphenylsilane?
The IUPAC name of tert-butyl-pent-4-ynoxy-diphenylsilane (CID 5461495) is tert-butyl-pent-4-ynoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-pent-4-ynoxy-diphenylsilane?
The canonical SMILES for tert-butyl-pent-4-ynoxy-diphenylsilane is C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-pent-4-ynoxy-diphenylsilane?
The InChIKey is LFOHWUQSMHJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OSi/c1-5-6-13-18-22-23(21(2,3)4,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-17H,6,13,18H2,2-4H3.
What are the key properties of tert-butyl-pent-4-ynoxy-diphenylsilane?
tert-butyl-pent-4-ynoxy-diphenylsilane has a molecular weight of 322.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-pent-4-ynoxy-diphenylsilane is sourced from PubChem (CID 5461495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).