[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane

C7H16N4OSi — CID 54129421

IUPAC[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane
SMILESCCOC(c1nn[nH]n1)[Si](C)(C)C
InChIInChI=1S/C7H16N4OSi/c1-5-12-7(13(2,3)4)6-8-10-11-9-6/h7H,5H2,1-4H3,(H,8,9,10,11)
InChIKeyNTHGWYNKWOBQBW-UHFFFAOYSA-N
MW200.32 g/mol
LogP1.15
Rot. Bonds4

About [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane

[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane (PubChem CID 54129421) has the molecular formula C7H16N4OSi and a molecular weight of 200.32 g/mol. Its IUPAC name is [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane
PubChem CID54129421
Molecular FormulaC7H16N4OSi
Molecular Weight200.32 g/mol
Exact Mass200.11
IUPAC Name[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane
SMILESCCOC(c1nn[nH]n1)[Si](C)(C)C
InChIInChI=1S/C7H16N4OSi/c1-5-12-7(13(2,3)4)6-8-10-11-9-6/h7H,5H2,1-4H3,(H,8,9,10,11)
InChIKeyNTHGWYNKWOBQBW-UHFFFAOYSA-N
XLogP1.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane?
The IUPAC name of [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane (CID 54129421) is [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane.
What is the SMILES notation for [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane?
The canonical SMILES for [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane is CCOC(c1nn[nH]n1)[Si](C)(C)C.
What is the InChIKey of [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane?
The InChIKey is NTHGWYNKWOBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4OSi/c1-5-12-7(13(2,3)4)6-8-10-11-9-6/h7H,5H2,1-4H3,(H,8,9,10,11).
What are the key properties of [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane?
[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane has a molecular weight of 200.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane is sourced from PubChem (CID 54129421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).