HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(2-(2-((tert-butyldimethylsilyl)oxy)ethoxy)-5-nitrophenyl)-4-methyl-1,4-dihydro-5H-tetrazol-5-one

HCID 86704533
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nnn(-c2cc([N+](=O)[O-])ccc2OCCO[Si](C)(C)C(C)(C)C)c1=O
InChIKey
WCLYVUMLNLTIQA-UHFFFAOYSA-N
Molecular formula
C16H25N5O5Si
Average molar mass
395.49 g/mol

Names & identifiers

Preferred name
1-(2-(2-((tert-butyldimethylsilyl)oxy)ethoxy)-5-nitrophenyl)-4-methyl-1,4-dihydro-5H-tetrazol-5-one
IUPAC
1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-nitrophenyl]-4-methyltetrazol-5-one

Names & synonyms

SCHEMBL15337511WCLYVUMLNLTIQA-UHFFFAOYSA-N1-(2-(2-((tert-butyldimethylsilyl)oxy)ethoxy)-5-nitrophenyl)-4-methyl-1,4-dihydro-5H-tetrazol-5-one

Database identifiers

PubChem CID
86704533

Properties

Computed structural properties

Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
589

Related reactions

1 records
New reaction record
HRID 633441 reaction equation
HRID 633441As productuspto-grants-2016_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes