1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one

C15H23N5O2Si — CID 90463332

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Cc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C15H23N5O2Si/c1-15(2,3)23(4,5)22-10-13(21)8-12-6-7-14(16-9-12)20-11-17-18-19-20/h6-7,9,11H,8,10H2,1-5H3
InChIKeyVIDRSPADJYLISC-UHFFFAOYSA-N
MW333.47 g/mol
LogP2.19
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one

1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one (PubChem CID 90463332) has the molecular formula C15H23N5O2Si and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one
PubChem CID90463332
Molecular FormulaC15H23N5O2Si
Molecular Weight333.47 g/mol
Exact Mass333.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Cc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C15H23N5O2Si/c1-15(2,3)23(4,5)22-10-13(21)8-12-6-7-14(16-9-12)20-11-17-18-19-20/h6-7,9,11H,8,10H2,1-5H3
InChIKeyVIDRSPADJYLISC-UHFFFAOYSA-N
XLogP2.19
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one (CID 90463332) is 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one is CC(C)(C)[Si](C)(C)OCC(=O)Cc1ccc(-n2cnnn2)nc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one?
The InChIKey is VIDRSPADJYLISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2Si/c1-15(2,3)23(4,5)22-10-13(21)8-12-6-7-14(16-9-12)20-11-17-18-19-20/h6-7,9,11H,8,10H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one has a molecular weight of 333.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 90463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).