CID 174813373

C2H8AlBO — CID 174813373

IUPAC—
SMILES[AlH3].[B]CCO
InChIInChI=1S/C2H5BO.Al.3H/c3-1-2-4;;;;/h4H,1-2H2;;;;
InChIKeyCVJFDSWXLCVRKK-UHFFFAOYSA-N
MW85.88 g/mol
LogP-1.62
Rot. Bonds1

About CID 174813373

CID 174813373 (PubChem CID 174813373) has the molecular formula C2H8AlBO and a molecular weight of 85.88 g/mol.

Molecular Properties

Compound NameCID 174813373
PubChem CID174813373
Molecular FormulaC2H8AlBO
Molecular Weight85.88 g/mol
Exact Mass86.05
IUPAC Name—
SMILES[AlH3].[B]CCO
InChIInChI=1S/C2H5BO.Al.3H/c3-1-2-4;;;;/h4H,1-2H2;;;;
InChIKeyCVJFDSWXLCVRKK-UHFFFAOYSA-N
XLogP-1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.88
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
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 CID 174813373?
The IUPAC name of CID 174813373 (CID 174813373) is not available.
What is the SMILES notation for CID 174813373?
The canonical SMILES for CID 174813373 is [AlH3].[B]CCO.
What is the InChIKey of CID 174813373?
The InChIKey is CVJFDSWXLCVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BO.Al.3H/c3-1-2-4;;;;/h4H,1-2H2;;;;.
What are the key properties of CID 174813373?
CID 174813373 has a molecular weight of 85.88 g/mol, XLogP of -1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174813373 is sourced from PubChem (CID 174813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).