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4-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)cyclohexanone

HCID 66733644
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[Si](C)(C)CCOCn1cc(C2CCC(=O)CC2)cn1
InChIKey
WTWHVRKVESWUOS-UHFFFAOYSA-N
Molecular formula
C15H26N2O2Si
Average molar mass
294.46 g/mol

Names & identifiers

Preferred name
4-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)cyclohexanone
IUPAC
4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]cyclohexan-1-one

Names & synonyms

SCHEMBL584369WTWHVRKVESWUOS-UHFFFAOYSA-N4-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)cyclohexanone

Database identifiers

PubChem CID
66733644

Properties

Computed structural properties

Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
320

Related reactions

2 records
New reaction record
HRID 831136 reaction equation
HRID 831136As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2047200 reaction equation
HRID 2047200As productuspto-grants-2013_11

Compound notes

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