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

C23H50O5Si3 — CID 634802

IUPACbis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h18H,16-17H2,1-15H3
InChIKeyHZEWZIFIXNHNJX-UHFFFAOYSA-N
MW490.91 g/mol
LogP7.25
Rot. Bonds8

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

bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 634802) has the molecular formula C23H50O5Si3 and a molecular weight of 490.91 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID634802
Molecular FormulaC23H50O5Si3
Molecular Weight490.91 g/mol
Exact Mass490.30
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h18H,16-17H2,1-15H3
InChIKeyHZEWZIFIXNHNJX-UHFFFAOYSA-N
XLogP7.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 57.25
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

Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Pentanoic acid, 2-hydroxy, TBDMS
CID 553037
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-Ketoglutaric acid, diTBDMS
CID 6430554
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Arabinonic acid, pentakis-TMS
CID 523307
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323
2-Deoxy-threo-pentaric acid, TMS
CID 523333
2-O-Methylxylaric acid, TMS
CID 523343

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 634802) is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is HZEWZIFIXNHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(20(25)28-31(14,15)23(7,8)9)16-17-19(24)27-30(12,13)22(4,5)6/h18H,16-17H2,1-15H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 490.91 g/mol, XLogP of 7.25, 8 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-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 634802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).