tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane

C21H25FOSi — CID 122215628

IUPACtert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
SMILESC#CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H25FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15,18H,16-17H2,2-4H3
InChIKeyMTOYGSXLJJVMJW-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane

tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane (PubChem CID 122215628) has the molecular formula C21H25FOSi and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
PubChem CID122215628
Molecular FormulaC21H25FOSi
Molecular Weight340.51 g/mol
Exact Mass340.17
IUPAC Nametert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
SMILESC#CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H25FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15,18H,16-17H2,2-4H3
InChIKeyMTOYGSXLJJVMJW-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.92
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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Related Compounds

(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane (CID 122215628) is tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane is C#CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane?
The InChIKey is MTOYGSXLJJVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FOSi/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15,18H,16-17H2,2-4H3.
What are the key properties of tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane?
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane has a molecular weight of 340.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane is sourced from PubChem (CID 122215628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).