tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane

C15H28N2OSSi — CID 15419182

IUPACtert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCn1ncc2c1CSC2
InChIInChI=1S/C15H28N2OSSi/c1-15(2,3)20(4,5)18-9-7-6-8-17-14-12-19-11-13(14)10-16-17/h10H,6-9,11-12H2,1-5H3
InChIKeyOSJFYBOGBRMSED-UHFFFAOYSA-N
MW312.56 g/mol
LogP4.43
Rot. Bonds6

About tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane

tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane (PubChem CID 15419182) has the molecular formula C15H28N2OSSi and a molecular weight of 312.56 g/mol. Its IUPAC name is tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane
PubChem CID15419182
Molecular FormulaC15H28N2OSSi
Molecular Weight312.56 g/mol
Exact Mass312.17
IUPAC Nametert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCn1ncc2c1CSC2
InChIInChI=1S/C15H28N2OSSi/c1-15(2,3)20(4,5)18-9-7-6-8-17-14-12-19-11-13(14)10-16-17/h10H,6-9,11-12H2,1-5H3
InChIKeyOSJFYBOGBRMSED-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[4-[5-(chloromethyl)pyrazol-1-yl]butoxy]-dimethylsilane;[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrazol-3-yl]methanol
CID 162255149
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
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tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
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CID 59747913
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
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1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 150358551
tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane
CID 10832273
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 101456517
tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane
CID 141191317

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane (CID 15419182) is tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCn1ncc2c1CSC2.
What is the InChIKey of tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane?
The InChIKey is OSJFYBOGBRMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OSSi/c1-15(2,3)20(4,5)18-9-7-6-8-17-14-12-19-11-13(14)10-16-17/h10H,6-9,11-12H2,1-5H3.
What are the key properties of tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane?
tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane has a molecular weight of 312.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4,6-dihydrothieno[3,4-d]pyrazol-1-yl)butoxy]-dimethylsilane is sourced from PubChem (CID 15419182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).