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

C17H34O5Si2 — CID 6430554

IUPACbis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si2/c1-16(2,3)23(7,8)21-14(19)12-11-13(18)15(20)22-24(9,10)17(4,5)6/h11-12H2,1-10H3
InChIKeyRJMSHEROUAXRFK-UHFFFAOYSA-N
MW374.63 g/mol
LogP4.43
Rot. Bonds6

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

bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate (PubChem CID 6430554) has the molecular formula C17H34O5Si2 and a molecular weight of 374.63 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate
PubChem CID6430554
Molecular FormulaC17H34O5Si2
Molecular Weight374.63 g/mol
Exact Mass374.19
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si2/c1-16(2,3)23(7,8)21-14(19)12-11-13(18)15(20)22-24(9,10)17(4,5)6/h11-12H2,1-10H3
InChIKeyRJMSHEROUAXRFK-UHFFFAOYSA-N
XLogP4.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.43
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

Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
2-Ketopentanedioic acid ditms
CID 530074
2-Hydroxyglutarate, TBDMS
CID 634802
2-Ketoadipic acid, diTBDMS
CID 6430552

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate (CID 6430554) is bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate?
The InChIKey is RJMSHEROUAXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si2/c1-16(2,3)23(7,8)21-14(19)12-11-13(18)15(20)22-24(9,10)17(4,5)6/h11-12H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate?
bis[tert-butyl(dimethyl)silyl] 2-oxopentanedioate has a molecular weight of 374.63 g/mol, XLogP of 4.43, 6 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-oxopentanedioate is sourced from PubChem (CID 6430554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).