tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane

C16H30N2O3SSi — CID 10832273

IUPACtert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCn1cc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C16H30N2O3SSi/c1-16(2,3)23(4,5)21-10-8-6-7-9-18-11-14-12-22(19,20)13-15(14)17-18/h11H,6-10,12-13H2,1-5H3
InChIKeyKFYXYPWIZHUVDV-UHFFFAOYSA-N
MW358.58 g/mol
LogP3.50
Rot. Bonds7

About tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane

tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane (PubChem CID 10832273) has the molecular formula C16H30N2O3SSi and a molecular weight of 358.58 g/mol. Its IUPAC name is tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane
PubChem CID10832273
Molecular FormulaC16H30N2O3SSi
Molecular Weight358.58 g/mol
Exact Mass358.17
IUPAC Nametert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCn1cc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C16H30N2O3SSi/c1-16(2,3)23(4,5)21-10-8-6-7-9-18-11-14-12-22(19,20)13-15(14)17-18/h11H,6-10,12-13H2,1-5H3
InChIKeyKFYXYPWIZHUVDV-UHFFFAOYSA-N
XLogP3.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane (CID 10832273) is tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCn1cc2c(n1)CS(=O)(=O)C2.
What is the InChIKey of tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane?
The InChIKey is KFYXYPWIZHUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3SSi/c1-16(2,3)23(4,5)21-10-8-6-7-9-18-11-14-12-22(19,20)13-15(14)17-18/h11H,6-10,12-13H2,1-5H3.
What are the key properties of tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane?
tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane has a molecular weight of 358.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane is sourced from PubChem (CID 10832273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).