1,3,2-dioxasilolane-4,5-dicarboxylic acid

C4H6O6Si — CID 173358127

IUPAC1,3,2-dioxasilolane-4,5-dicarboxylic acid
SMILESO=C(O)C1O[SiH2]OC1C(=O)O
InChIInChI=1S/C4H6O6Si/c5-3(6)1-2(4(7)8)10-11-9-1/h1-2H,11H2,(H,5,6)(H,7,8)
InChIKeyVPKDSKUTRXOCEI-UHFFFAOYSA-N
MW178.17 g/mol
LogP-2.06
Rot. Bonds2

About 1,3,2-dioxasilolane-4,5-dicarboxylic acid

1,3,2-dioxasilolane-4,5-dicarboxylic acid (PubChem CID 173358127) has the molecular formula C4H6O6Si and a molecular weight of 178.17 g/mol. Its IUPAC name is 1,3,2-dioxasilolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name1,3,2-dioxasilolane-4,5-dicarboxylic acid
PubChem CID173358127
Molecular FormulaC4H6O6Si
Molecular Weight178.17 g/mol
Exact Mass177.99
IUPAC Name1,3,2-dioxasilolane-4,5-dicarboxylic acid
SMILESO=C(O)C1O[SiH2]OC1C(=O)O
InChIInChI=1S/C4H6O6Si/c5-3(6)1-2(4(7)8)10-11-9-1/h1-2H,11H2,(H,5,6)(H,7,8)
InChIKeyVPKDSKUTRXOCEI-UHFFFAOYSA-N
XLogP-2.06
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-2.06
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 1,3,2-dioxasilolane-4,5-dicarboxylic acid?
The IUPAC name of 1,3,2-dioxasilolane-4,5-dicarboxylic acid (CID 173358127) is 1,3,2-dioxasilolane-4,5-dicarboxylic acid.
What is the SMILES notation for 1,3,2-dioxasilolane-4,5-dicarboxylic acid?
The canonical SMILES for 1,3,2-dioxasilolane-4,5-dicarboxylic acid is O=C(O)C1O[SiH2]OC1C(=O)O.
What is the InChIKey of 1,3,2-dioxasilolane-4,5-dicarboxylic acid?
The InChIKey is VPKDSKUTRXOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6Si/c5-3(6)1-2(4(7)8)10-11-9-1/h1-2H,11H2,(H,5,6)(H,7,8).
What are the key properties of 1,3,2-dioxasilolane-4,5-dicarboxylic acid?
1,3,2-dioxasilolane-4,5-dicarboxylic acid has a molecular weight of 178.17 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxasilolane-4,5-dicarboxylic acid is sourced from PubChem (CID 173358127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).