tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane

C13H22N2OSi — CID 46177199

IUPACtert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCC#Cn1cccn1
InChIInChI=1S/C13H22N2OSi/c1-13(2,3)17(4,5)16-12-7-6-10-15-11-8-9-14-15/h8-9,11H,7,12H2,1-5H3
InChIKeyFGPMTPXVILYGQE-UHFFFAOYSA-N
MW250.42 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane

tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane (PubChem CID 46177199) has the molecular formula C13H22N2OSi and a molecular weight of 250.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane
PubChem CID46177199
Molecular FormulaC13H22N2OSi
Molecular Weight250.42 g/mol
Exact Mass250.15
IUPAC Nametert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCC#Cn1cccn1
InChIInChI=1S/C13H22N2OSi/c1-13(2,3)17(4,5)16-12-7-6-10-15-11-8-9-14-15/h8-9,11H,7,12H2,1-5H3
InChIKeyFGPMTPXVILYGQE-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 21344899
CID 21344899
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
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tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
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5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
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lithium tert-butyl-but-3-ynoxy-dimethylsilane
CID 11063224
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
CID 157387297
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
CID 135028614
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane (CID 46177199) is tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane is CC(C)(C)[Si](C)(C)OCCC#Cn1cccn1.
What is the InChIKey of tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane?
The InChIKey is FGPMTPXVILYGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OSi/c1-13(2,3)17(4,5)16-12-7-6-10-15-11-8-9-14-15/h8-9,11H,7,12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane?
tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane has a molecular weight of 250.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane is sourced from PubChem (CID 46177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).