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

C22H48O5Si3 — CID 528581

IUPACbis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h17H,16H2,1-15H3
InChIKeyLGKDLSNIOMYKSN-UHFFFAOYSA-N
MW476.88 g/mol
LogP6.86
Rot. Bonds7

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

bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate (PubChem CID 528581) has the molecular formula C22H48O5Si3 and a molecular weight of 476.88 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate
PubChem CID528581
Molecular FormulaC22H48O5Si3
Molecular Weight476.88 g/mol
Exact Mass476.28
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h17H,16H2,1-15H3
InChIKeyLGKDLSNIOMYKSN-UHFFFAOYSA-N
XLogP6.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 56.86
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

Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Erythraric acid, TMS
CID 523397
Citramalic acid, TMS
CID 526005
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate (CID 528581) is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate is CC(C)(C)[Si](C)(C)OC(=O)CC(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]oxybutanedioate?
The InChIKey is LGKDLSNIOMYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h17H,16H2,1-15H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanedioate has a molecular weight of 476.88 g/mol, XLogP of 6.86, 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-[tert-butyl(dimethyl)silyl]oxybutanedioate is sourced from PubChem (CID 528581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).