bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate

C18H36O5Si2 — CID 6430552

IUPACbis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si2/c1-17(2,3)24(7,8)22-15(20)13-11-12-14(19)16(21)23-25(9,10)18(4,5)6/h11-13H2,1-10H3
InChIKeyFQYCCNNEBKBSIY-UHFFFAOYSA-N
MW388.65 g/mol
LogP4.82
Rot. Bonds7

About bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate

bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate (PubChem CID 6430552) has the molecular formula C18H36O5Si2 and a molecular weight of 388.65 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate
PubChem CID6430552
Molecular FormulaC18H36O5Si2
Molecular Weight388.65 g/mol
Exact Mass388.21
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si2/c1-17(2,3)24(7,8)22-15(20)13-11-12-14(19)16(21)23-25(9,10)18(4,5)6/h11-13H2,1-10H3
InChIKeyFQYCCNNEBKBSIY-UHFFFAOYSA-N
XLogP4.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
2-Ketoglutaric acid, diTBDMS
CID 6430554
Methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
CID 158638196

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate (CID 6430552) is bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate?
The InChIKey is FQYCCNNEBKBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si2/c1-17(2,3)24(7,8)22-15(20)13-11-12-14(19)16(21)23-25(9,10)18(4,5)6/h11-13H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate?
bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate has a molecular weight of 388.65 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2-oxohexanedioate is sourced from PubChem (CID 6430552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).