tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane

C17H24N2O2Si — CID 175290569

IUPACtert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane
SMILESCC(C)(C)OC=O.C[Si](C)(C)C#Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N2Si.C5H10O2/c1-15(2,3)7-6-10-4-5-12-11(8-10)9-13-14-12;1-5(2,3)7-4-6/h4-5,8-9H,1-3H3,(H,13,14);4H,1-3H3
InChIKeyCRNSYFSBXJBPQT-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane

tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane (PubChem CID 175290569) has the molecular formula C17H24N2O2Si and a molecular weight of 316.48 g/mol. Its IUPAC name is tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Nametert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane
PubChem CID175290569
Molecular FormulaC17H24N2O2Si
Molecular Weight316.48 g/mol
Exact Mass316.16
IUPAC Nametert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane
SMILESCC(C)(C)OC=O.C[Si](C)(C)C#Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N2Si.C5H10O2/c1-15(2,3)7-6-10-4-5-12-11(8-10)9-13-14-12;1-5(2,3)7-4-6/h4-5,8-9H,1-3H3,(H,13,14);4H,1-3H3
InChIKeyCRNSYFSBXJBPQT-UHFFFAOYSA-N
XLogP3.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethynyl-1H-indazole
CID 17842433
2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane
CID 169059767
7-[2-(Trimethylsilyl)ethynyl]-1H-indazole
CID 56846495
3-(4-Fluoro-1H-indazol-5-yl)propiolic acid
CID 170904104
5-Trimethylsilanylethynyl-1H-indazole
CID 57950741
Tert-butyl (1h-indazol-5-yl)methylcarbamate
CID 59462463
5-heptyl-1H-indazole
CID 59546105
3-Methyl-5-(2-(trimethylsilyl)ethynyl)-1H-indazole
CID 67062722
5-dodecyl-1H-indazole
CID 67799721
tert-butyl 4-(1H-indazol-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 67981587
formic acid;1H-indazole
CID 69150703
5-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 71240651

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane (CID 175290569) is tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane is CC(C)(C)OC=O.C[Si](C)(C)C#Cc1ccc2[nH]ncc2c1.
What is the InChIKey of tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane?
The InChIKey is CRNSYFSBXJBPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2Si.C5H10O2/c1-15(2,3)7-6-10-4-5-12-11(8-10)9-13-14-12;1-5(2,3)7-4-6/h4-5,8-9H,1-3H3,(H,13,14);4H,1-3H3.
What are the key properties of tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane?
tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane has a molecular weight of 316.48 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;2-(1H-indazol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 175290569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).