alumane;bis(dihydroxy(oxo)silane)

H13Al3O6Si2 — CID 173307054

IUPACalumane;bis(dihydroxy(oxo)silane)
SMILESO=[Si](O)O.O=[Si](O)O.[AlH3].[AlH3].[AlH3]
InChIInChI=1S/3Al.2H2O3Si.9H/c;;;2*1-4(2)3;;;;;;;;;/h;;;2*1-2H;;;;;;;;;
InChIKeyNFBBIKGIZGSTPI-UHFFFAOYSA-N
MW246.22 g/mol
LogP-6.78
Rot. Bonds

About alumane;bis(dihydroxy(oxo)silane)

alumane;bis(dihydroxy(oxo)silane) (PubChem CID 173307054) has the molecular formula H13Al3O6Si2 and a molecular weight of 246.22 g/mol. Its IUPAC name is alumane;bis(dihydroxy(oxo)silane).

Molecular Properties

Compound Namealumane;bis(dihydroxy(oxo)silane)
PubChem CID173307054
Molecular FormulaH13Al3O6Si2
Molecular Weight246.22 g/mol
Exact Mass245.97
IUPAC Namealumane;bis(dihydroxy(oxo)silane)
SMILESO=[Si](O)O.O=[Si](O)O.[AlH3].[AlH3].[AlH3]
InChIInChI=1S/3Al.2H2O3Si.9H/c;;;2*1-4(2)3;;;;;;;;;/h;;;2*1-2H;;;;;;;;;
InChIKeyNFBBIKGIZGSTPI-UHFFFAOYSA-N
XLogP-6.78
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-6.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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;bis(dihydroxy(oxo)silane)?
The IUPAC name of alumane;bis(dihydroxy(oxo)silane) (CID 173307054) is alumane;bis(dihydroxy(oxo)silane).
What is the SMILES notation for alumane;bis(dihydroxy(oxo)silane)?
The canonical SMILES for alumane;bis(dihydroxy(oxo)silane) is O=[Si](O)O.O=[Si](O)O.[AlH3].[AlH3].[AlH3].
What is the InChIKey of alumane;bis(dihydroxy(oxo)silane)?
The InChIKey is NFBBIKGIZGSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.2H2O3Si.9H/c;;;2*1-4(2)3;;;;;;;;;/h;;;2*1-2H;;;;;;;;;.
What are the key properties of alumane;bis(dihydroxy(oxo)silane)?
alumane;bis(dihydroxy(oxo)silane) has a molecular weight of 246.22 g/mol, XLogP of -6.78, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;bis(dihydroxy(oxo)silane) is sourced from PubChem (CID 173307054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).