tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane

C13H24N2OSSi — CID 153404871

IUPACtert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1
InChIInChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3
InChIKeyPTKGCFGUEHBSDY-UHFFFAOYSA-N
MW284.50 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane

tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane (PubChem CID 153404871) has the molecular formula C13H24N2OSSi and a molecular weight of 284.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
PubChem CID153404871
Molecular FormulaC13H24N2OSSi
Molecular Weight284.50 g/mol
Exact Mass284.14
IUPAC Nametert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1
InChIInChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3
InChIKeyPTKGCFGUEHBSDY-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane (CID 153404871) is tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane is CC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1.
What is the InChIKey of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The InChIKey is PTKGCFGUEHBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane has a molecular weight of 284.50 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane is sourced from PubChem (CID 153404871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).