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[4-((1r,2s,3r)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-but-2-ynyloxy]-acetic acid methyl ester

HCID 91117818
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)COCC#CC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)cc1
InChIKey
YSVZKYFSUJGCHL-RCFKSHNGSA-N
Molecular formula
C37H60O6Si2
Average molar mass
657 g/mol

Names & identifiers

Preferred name
[4-((1r,2s,3r)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-but-2-ynyloxy]-acetic acid methyl ester
IUPAC
methyl 2-[4-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]phenyl]-5-oxocyclopentyl]but-2-ynoxy]acetate

Names & synonyms

YSVZKYFSUJGCHL-RCFKSHNGSA-N[4-((1r,2s,3r)-3-(tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-but-2-ynyloxy]-acetic acid methyl ester

Database identifiers

PubChem CID
91117818

Properties

Computed structural properties

Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
45
Formal charge
0
Complexity
1,040

Related reactions

1 records
New reaction record
HRID 9239 reaction equation
HRID 9239As reactantuspto-grants-2006_08

Compound notes

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