2,3-bis(trimethylsilyloxy)butanedioic acid

C10H22O6Si2 — CID 19042573

IUPAC2,3-bis(trimethylsilyloxy)butanedioic acid
SMILESC[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H22O6Si2/c1-17(2,3)15-7(9(11)12)8(10(13)14)16-18(4,5)6/h7-8H,1-6H3,(H,11,12)(H,13,14)
InChIKeyFMGCOWMJQCNDJV-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.60
Rot. Bonds7

About 2,3-bis(trimethylsilyloxy)butanedioic acid

2,3-bis(trimethylsilyloxy)butanedioic acid (PubChem CID 19042573) has the molecular formula C10H22O6Si2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)butanedioic acid
PubChem CID19042573
Molecular FormulaC10H22O6Si2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name2,3-bis(trimethylsilyloxy)butanedioic acid
SMILESC[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H22O6Si2/c1-17(2,3)15-7(9(11)12)8(10(13)14)16-18(4,5)6/h7-8H,1-6H3,(H,11,12)(H,13,14)
InChIKeyFMGCOWMJQCNDJV-UHFFFAOYSA-N
XLogP1.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 2,3-bis(trimethylsilyloxy)butanedioic acid?
The IUPAC name of 2,3-bis(trimethylsilyloxy)butanedioic acid (CID 19042573) is 2,3-bis(trimethylsilyloxy)butanedioic acid.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)butanedioic acid?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)butanedioic acid is C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)butanedioic acid?
The InChIKey is FMGCOWMJQCNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6Si2/c1-17(2,3)15-7(9(11)12)8(10(13)14)16-18(4,5)6/h7-8H,1-6H3,(H,11,12)(H,13,14).
What are the key properties of 2,3-bis(trimethylsilyloxy)butanedioic acid?
2,3-bis(trimethylsilyloxy)butanedioic acid has a molecular weight of 294.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)butanedioic acid is sourced from PubChem (CID 19042573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).