CID 136898859

C7H8O4Si2 — CID 136898859

IUPAC—
SMILESCOC(=O)C1=C(C(=O)OC)[Si]C[Si]1
InChIInChI=1S/C7H8O4Si2/c1-10-6(8)4-5(7(9)11-2)13-3-12-4/h3H2,1-2H3
InChIKeyGBAIXGPLHWXDJX-UHFFFAOYSA-N
MW212.31 g/mol
LogP-0.66
Rot. Bonds2

About CID 136898859

CID 136898859 (PubChem CID 136898859) has the molecular formula C7H8O4Si2 and a molecular weight of 212.31 g/mol.

Molecular Properties

Compound NameCID 136898859
PubChem CID136898859
Molecular FormulaC7H8O4Si2
Molecular Weight212.31 g/mol
Exact Mass212.00
IUPAC Name—
SMILESCOC(=O)C1=C(C(=O)OC)[Si]C[Si]1
InChIInChI=1S/C7H8O4Si2/c1-10-6(8)4-5(7(9)11-2)13-3-12-4/h3H2,1-2H3
InChIKeyGBAIXGPLHWXDJX-UHFFFAOYSA-N
XLogP-0.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
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 CID 136898859?
The IUPAC name of CID 136898859 (CID 136898859) is not available.
What is the SMILES notation for CID 136898859?
The canonical SMILES for CID 136898859 is COC(=O)C1=C(C(=O)OC)[Si]C[Si]1.
What is the InChIKey of CID 136898859?
The InChIKey is GBAIXGPLHWXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4Si2/c1-10-6(8)4-5(7(9)11-2)13-3-12-4/h3H2,1-2H3.
What are the key properties of CID 136898859?
CID 136898859 has a molecular weight of 212.31 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136898859 is sourced from PubChem (CID 136898859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).