CID 90684412

C3H7HgO4Si- — CID 90684412

IUPAC—
SMILESCOCC[Hg-]1O[Si](=O)O1
InChIInChI=1S/C3H7O.Hg.O3Si/c1-3-4-2;;1-4(2)3/h1,3H2,2H3;;/q;+1;-2
InChIKeyFSNHYYQHGAEENZ-UHFFFAOYSA-N
MW335.76 g/mol
LogP-0.04
Rot. Bonds3

About CID 90684412

CID 90684412 (PubChem CID 90684412) has the molecular formula C3H7HgO4Si- and a molecular weight of 335.76 g/mol.

Molecular Properties

Compound NameCID 90684412
PubChem CID90684412
Molecular FormulaC3H7HgO4Si-
Molecular Weight335.76 g/mol
Exact Mass336.98
IUPAC Name—
SMILESCOCC[Hg-]1O[Si](=O)O1
InChIInChI=1S/C3H7O.Hg.O3Si/c1-3-4-2;;1-4(2)3/h1,3H2,2H3;;/q;+1;-2
InChIKeyFSNHYYQHGAEENZ-UHFFFAOYSA-N
XLogP-0.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 5-0.04
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 90684412?
The IUPAC name of CID 90684412 (CID 90684412) is not available.
What is the SMILES notation for CID 90684412?
The canonical SMILES for CID 90684412 is COCC[Hg-]1O[Si](=O)O1.
What is the InChIKey of CID 90684412?
The InChIKey is FSNHYYQHGAEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Hg.O3Si/c1-3-4-2;;1-4(2)3/h1,3H2,2H3;;/q;+1;-2.
What are the key properties of CID 90684412?
CID 90684412 has a molecular weight of 335.76 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90684412 is sourced from PubChem (CID 90684412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).