bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate

C14H32O5Si3 — CID 521646

IUPACbis(trimethylsilyl) 2-trimethylsilyloxypentanedioate
SMILESC[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h12H,10-11H2,1-9H3
InChIKeyGFDIGKRHNMDEJF-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.74
Rot. Bonds8

About bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate (PubChem CID 521646) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxypentanedioate
PubChem CID521646
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxypentanedioate
SMILESC[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h12H,10-11H2,1-9H3
InChIKeyGFDIGKRHNMDEJF-UHFFFAOYSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646
2-Hydroxyglutarate, TBDMS
CID 634802
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, dimethyl ester
CID 553342
Arabinonic acid, pentakis-TMS
CID 523307
2-Deoxy-threo-pentaric acid, TMS
CID 523333
2-O-Methylxylaric acid, TMS
CID 523343
3,5-Dideoxy-erythro-pentonic acid, tris-TMS
CID 523348
3-Deoxy-2-C-hydroxymethyl-erythro-pentaric acid, TMS
CID 523352
3-Deoxy-threo-pentaric acid, TMS
CID 523360
3-Deoxy-threo-pentonic acid, tetrakis-TMS
CID 523370

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate (CID 521646) is bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate is C[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate?
The InChIKey is GFDIGKRHNMDEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate has a molecular weight of 364.66 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxypentanedioate is sourced from PubChem (CID 521646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).