[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate

C18H38O7Si2 — CID 87908779

IUPAC[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O7Si2/c1-15(2,3)26(9,10)24-18(8,22)13(19)17(7,21)14(20)23-25-27(11,12)16(4,5)6/h21-22H,1-12H3
InChIKeyGKDTUEZORRXADH-UHFFFAOYSA-N
MW422.67 g/mol
LogP3.52
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate

[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate (PubChem CID 87908779) has the molecular formula C18H38O7Si2 and a molecular weight of 422.67 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
PubChem CID87908779
Molecular FormulaC18H38O7Si2
Molecular Weight422.67 g/mol
Exact Mass422.22
IUPAC Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O7Si2/c1-15(2,3)26(9,10)24-18(8,22)13(19)17(7,21)14(20)23-25-27(11,12)16(4,5)6/h21-22H,1-12H3
InChIKeyGKDTUEZORRXADH-UHFFFAOYSA-N
XLogP3.52
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate (CID 87908779) is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate is CC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate?
The InChIKey is GKDTUEZORRXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O7Si2/c1-15(2,3)26(9,10)24-18(8,22)13(19)17(7,21)14(20)23-25-27(11,12)16(4,5)6/h21-22H,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate?
[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate has a molecular weight of 422.67 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate is sourced from PubChem (CID 87908779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).