alumane;silyloxyboronic acid

H8AlBO3Si — CID 174329602

IUPACalumane;silyloxyboronic acid
SMILESOB(O)O[SiH3].[AlH3]
InChIInChI=1S/Al.BH5O3Si.3H/c;2-1(3)4-5;;;/h;2-3H,5H3;;;
InChIKeyQBYQQOUGKDYTKP-UHFFFAOYSA-N
MW121.94 g/mol
LogP-3.93
Rot. Bonds1

About alumane;silyloxyboronic acid

alumane;silyloxyboronic acid (PubChem CID 174329602) has the molecular formula H8AlBO3Si and a molecular weight of 121.94 g/mol. Its IUPAC name is alumane;silyloxyboronic acid.

Molecular Properties

Compound Namealumane;silyloxyboronic acid
PubChem CID174329602
Molecular FormulaH8AlBO3Si
Molecular Weight121.94 g/mol
Exact Mass122.02
IUPAC Namealumane;silyloxyboronic acid
SMILESOB(O)O[SiH3].[AlH3]
InChIInChI=1S/Al.BH5O3Si.3H/c;2-1(3)4-5;;;/h;2-3H,5H3;;;
InChIKeyQBYQQOUGKDYTKP-UHFFFAOYSA-N
XLogP-3.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.94
LogP ≤ 5-3.93
H-Bond Donors ≤ 52
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 alumane;silyloxyboronic acid?
The IUPAC name of alumane;silyloxyboronic acid (CID 174329602) is alumane;silyloxyboronic acid.
What is the SMILES notation for alumane;silyloxyboronic acid?
The canonical SMILES for alumane;silyloxyboronic acid is OB(O)O[SiH3].[AlH3].
What is the InChIKey of alumane;silyloxyboronic acid?
The InChIKey is QBYQQOUGKDYTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BH5O3Si.3H/c;2-1(3)4-5;;;/h;2-3H,5H3;;;.
What are the key properties of alumane;silyloxyboronic acid?
alumane;silyloxyboronic acid has a molecular weight of 121.94 g/mol, XLogP of -3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;silyloxyboronic acid is sourced from PubChem (CID 174329602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).