CID 172726649

H8B8O4 — CID 172726649

IUPAC—
SMILESO.O.O.O.[B].[B].[B].[B].[B].[B].[B].[B]
InChIInChI=1S/8B.4H2O/h;;;;;;;;4*1H2
InChIKeyHFUYICHNSIOPQH-UHFFFAOYSA-N
MW158.56 g/mol
LogP-6.35
Rot. Bonds

About CID 172726649

CID 172726649 (PubChem CID 172726649) has the molecular formula H8B8O4 and a molecular weight of 158.56 g/mol.

Molecular Properties

Compound NameCID 172726649
PubChem CID172726649
Molecular FormulaH8B8O4
Molecular Weight158.56 g/mol
Exact Mass160.12
IUPAC Name—
SMILESO.O.O.O.[B].[B].[B].[B].[B].[B].[B].[B]
InChIInChI=1S/8B.4H2O/h;;;;;;;;4*1H2
InChIKeyHFUYICHNSIOPQH-UHFFFAOYSA-N
XLogP-6.35
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 5-6.35
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 172726649?
The IUPAC name of CID 172726649 (CID 172726649) is not available.
What is the SMILES notation for CID 172726649?
The canonical SMILES for CID 172726649 is O.O.O.O.[B].[B].[B].[B].[B].[B].[B].[B].
What is the InChIKey of CID 172726649?
The InChIKey is HFUYICHNSIOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/8B.4H2O/h;;;;;;;;4*1H2.
What are the key properties of CID 172726649?
CID 172726649 has a molecular weight of 158.56 g/mol, XLogP of -6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172726649 is sourced from PubChem (CID 172726649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).