CID 131875237

C3H8Na2O5Si — CID 131875237

IUPAC—
SMILESO=C(O)CC[Si](O)(O)O.[Na].[Na]
InChIInChI=1S/C3H8O5Si.2Na/c4-3(5)1-2-9(6,7)8;;/h6-8H,1-2H2,(H,4,5);;
InChIKeyDRJPKPRRVFVBCY-UHFFFAOYSA-N
MW198.16 g/mol
LogP-2.38
Rot. Bonds3

About CID 131875237

CID 131875237 (PubChem CID 131875237) has the molecular formula C3H8Na2O5Si and a molecular weight of 198.16 g/mol.

Molecular Properties

Compound NameCID 131875237
PubChem CID131875237
Molecular FormulaC3H8Na2O5Si
Molecular Weight198.16 g/mol
Exact Mass197.99
IUPAC Name—
SMILESO=C(O)CC[Si](O)(O)O.[Na].[Na]
InChIInChI=1S/C3H8O5Si.2Na/c4-3(5)1-2-9(6,7)8;;/h6-8H,1-2H2,(H,4,5);;
InChIKeyDRJPKPRRVFVBCY-UHFFFAOYSA-N
XLogP-2.38
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 175714794
CID 175714794
4-trihydroxysilylbutanoic acid
CID 102401251
azane;butanedioic acid
CID 87070561
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
CID 87932920
CID 87932920
CID 131872623
CID 131872623
3-[chloromethyl(dimethyl)silyl]propanoic acid
CID 86002472
butanedioic acid;ethene
CID 87532899
azane;butanedioic acid;dihydrate
CID 141112137

Frequently Asked Questions

What is the IUPAC name of CID 131875237?
The IUPAC name of CID 131875237 (CID 131875237) is not available.
What is the SMILES notation for CID 131875237?
The canonical SMILES for CID 131875237 is O=C(O)CC[Si](O)(O)O.[Na].[Na].
What is the InChIKey of CID 131875237?
The InChIKey is DRJPKPRRVFVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5Si.2Na/c4-3(5)1-2-9(6,7)8;;/h6-8H,1-2H2,(H,4,5);;.
What are the key properties of CID 131875237?
CID 131875237 has a molecular weight of 198.16 g/mol, XLogP of -2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131875237 is sourced from PubChem (CID 131875237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).