bis[tert-butyl(dimethyl)silyl] pentanedioate

C17H36O4Si2 — CID 552518

IUPACbis[tert-butyl(dimethyl)silyl] pentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-13H2,1-10H3
InChIKeyCGCYGKFYZGUDQP-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.25
Rot. Bonds6

About bis[tert-butyl(dimethyl)silyl] pentanedioate

bis[tert-butyl(dimethyl)silyl] pentanedioate (PubChem CID 552518) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] pentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] pentanedioate
PubChem CID552518
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis[tert-butyl(dimethyl)silyl] pentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-13H2,1-10H3
InChIKeyCGCYGKFYZGUDQP-UHFFFAOYSA-N
XLogP5.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] pentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] pentanedioate (CID 552518) is bis[tert-butyl(dimethyl)silyl] pentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] pentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] pentanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] pentanedioate?
The InChIKey is CGCYGKFYZGUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-13H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] pentanedioate?
bis[tert-butyl(dimethyl)silyl] pentanedioate has a molecular weight of 360.64 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] pentanedioate is sourced from PubChem (CID 552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).