bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate

C15H36O6Si4 — CID 553797

IUPACbis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-22(2,3)18-13(16)15(20-24(7,8)9,21-25(10,11)12)14(17)19-23(4,5)6/h1-12H3
InChIKeyKHVUOWWPNVBADO-UHFFFAOYSA-N
MW424.79 g/mol
LogP4.14
Rot. Bonds8

About bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate

bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate (PubChem CID 553797) has the molecular formula C15H36O6Si4 and a molecular weight of 424.79 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate
PubChem CID553797
Molecular FormulaC15H36O6Si4
Molecular Weight424.79 g/mol
Exact Mass424.16
IUPAC Namebis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-22(2,3)18-13(16)15(20-24(7,8)9,21-25(10,11)12)14(17)19-23(4,5)6/h1-12H3
InChIKeyKHVUOWWPNVBADO-UHFFFAOYSA-N
XLogP4.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]malonate
CID 520885
Glyceric acid tris-TMS
CID 520886
Ketomalonic acid, TMS
CID 23324411
C-Ethylglyceraric acid, TMS
CID 523392
C-(Hydroxymethyl)glyceraric acid, TMS
CID 523393
C-Methylglyceraric acid, TMS
CID 523395
Propanedioic acid, (trimethylsilyl)[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553155
trimethylsilyl (2S)-2,3-bis(trimethylsilyloxy)propanoate
CID 101586801
trimethylsilyl (2R)-2,3-bis(trimethylsilyloxy)propanoate
CID 101586800

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate?
The IUPAC name of bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate (CID 553797) is bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate?
The InChIKey is KHVUOWWPNVBADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O6Si4/c1-22(2,3)18-13(16)15(20-24(7,8)9,21-25(10,11)12)14(17)19-23(4,5)6/h1-12H3.
What are the key properties of bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate?
bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate has a molecular weight of 424.79 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,2-bis(trimethylsilyloxy)propanedioate is sourced from PubChem (CID 553797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).