alumane;dihydroxy(oxo)silane;hydrate

H7AlO4Si — CID 172998360

IUPACalumane;dihydroxy(oxo)silane;hydrate
SMILESO.O=[Si](O)O.[AlH3]
InChIInChI=1S/Al.H2O3Si.H2O.3H/c;1-4(2)3;;;;/h;1-2H;1H2;;;
InChIKeyOQBUSMYFZDLSPD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-3.62
Rot. Bonds

About alumane;dihydroxy(oxo)silane;hydrate

alumane;dihydroxy(oxo)silane;hydrate (PubChem CID 172998360) has the molecular formula H7AlO4Si and a molecular weight of 126.12 g/mol. Its IUPAC name is alumane;dihydroxy(oxo)silane;hydrate.

Molecular Properties

Compound Namealumane;dihydroxy(oxo)silane;hydrate
PubChem CID172998360
Molecular FormulaH7AlO4Si
Molecular Weight126.12 g/mol
Exact Mass125.99
IUPAC Namealumane;dihydroxy(oxo)silane;hydrate
SMILESO.O=[Si](O)O.[AlH3]
InChIInChI=1S/Al.H2O3Si.H2O.3H/c;1-4(2)3;;;;/h;1-2H;1H2;;;
InChIKeyOQBUSMYFZDLSPD-UHFFFAOYSA-N
XLogP-3.62
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-3.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 alumane;dihydroxy(oxo)silane;hydrate?
The IUPAC name of alumane;dihydroxy(oxo)silane;hydrate (CID 172998360) is alumane;dihydroxy(oxo)silane;hydrate.
What is the SMILES notation for alumane;dihydroxy(oxo)silane;hydrate?
The canonical SMILES for alumane;dihydroxy(oxo)silane;hydrate is O.O=[Si](O)O.[AlH3].
What is the InChIKey of alumane;dihydroxy(oxo)silane;hydrate?
The InChIKey is OQBUSMYFZDLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.H2O3Si.H2O.3H/c;1-4(2)3;;;;/h;1-2H;1H2;;;.
What are the key properties of alumane;dihydroxy(oxo)silane;hydrate?
alumane;dihydroxy(oxo)silane;hydrate has a molecular weight of 126.12 g/mol, XLogP of -3.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;dihydroxy(oxo)silane;hydrate is sourced from PubChem (CID 172998360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).