CID 174772047

H6AlBFeSi — CID 174772047

IUPAC—
SMILES[AlH3].[B][SiH3].[Fe]
InChIInChI=1S/Al.BH3Si.Fe.3H/c;1-2;;;;/h;2H3;;;;
InChIKeyVXZGZQOFSUCVTG-UHFFFAOYSA-N
MW127.77 g/mol
LogP-2.75
Rot. Bonds

About CID 174772047

CID 174772047 (PubChem CID 174772047) has the molecular formula H6AlBFeSi and a molecular weight of 127.77 g/mol.

Molecular Properties

Compound NameCID 174772047
PubChem CID174772047
Molecular FormulaH6AlBFeSi
Molecular Weight127.77 g/mol
Exact Mass127.95
IUPAC Name—
SMILES[AlH3].[B][SiH3].[Fe]
InChIInChI=1S/Al.BH3Si.Fe.3H/c;1-2;;;;/h;2H3;;;;
InChIKeyVXZGZQOFSUCVTG-UHFFFAOYSA-N
XLogP-2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.77
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174772047?
The IUPAC name of CID 174772047 (CID 174772047) is not available.
What is the SMILES notation for CID 174772047?
The canonical SMILES for CID 174772047 is [AlH3].[B][SiH3].[Fe].
What is the InChIKey of CID 174772047?
The InChIKey is VXZGZQOFSUCVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BH3Si.Fe.3H/c;1-2;;;;/h;2H3;;;;.
What are the key properties of CID 174772047?
CID 174772047 has a molecular weight of 127.77 g/mol, XLogP of -2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174772047 is sourced from PubChem (CID 174772047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).