silicon(4+);titanium(4+);borate

H8BO3SiTi+5 — CID 161492353

IUPACsilicon(4+);titanium(4+);borate
SMILES[O-]B([O-])[O-].[SiH8+4].[Ti+4]
InChIInChI=1S/BO3.H8Si.Ti/c2-1(3)4;;/h;1H8;/q-3;2*+4
InChIKeyVMVFSQRWZZTCIQ-UHFFFAOYSA-N
MW142.83 g/mol
LogP-6.47
Rot. Bonds

About silicon(4+);titanium(4+);borate

silicon(4+);titanium(4+);borate (PubChem CID 161492353) has the molecular formula H8BO3SiTi+5 and a molecular weight of 142.83 g/mol. Its IUPAC name is silicon(4+);titanium(4+);borate.

Molecular Properties

Compound Namesilicon(4+);titanium(4+);borate
PubChem CID161492353
Molecular FormulaH8BO3SiTi+5
Molecular Weight142.83 g/mol
Exact Mass142.98
IUPAC Namesilicon(4+);titanium(4+);borate
SMILES[O-]B([O-])[O-].[SiH8+4].[Ti+4]
InChIInChI=1S/BO3.H8Si.Ti/c2-1(3)4;;/h;1H8;/q-3;2*+4
InChIKeyVMVFSQRWZZTCIQ-UHFFFAOYSA-N
XLogP-6.47
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.83
LogP ≤ 5-6.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 silicon(4+);titanium(4+);borate?
The IUPAC name of silicon(4+);titanium(4+);borate (CID 161492353) is silicon(4+);titanium(4+);borate.
What is the SMILES notation for silicon(4+);titanium(4+);borate?
The canonical SMILES for silicon(4+);titanium(4+);borate is [O-]B([O-])[O-].[SiH8+4].[Ti+4].
What is the InChIKey of silicon(4+);titanium(4+);borate?
The InChIKey is VMVFSQRWZZTCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.H8Si.Ti/c2-1(3)4;;/h;1H8;/q-3;2*+4.
What are the key properties of silicon(4+);titanium(4+);borate?
silicon(4+);titanium(4+);borate has a molecular weight of 142.83 g/mol, XLogP of -6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silicon(4+);titanium(4+);borate is sourced from PubChem (CID 161492353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).