CID 159798563

CH4B6 — CID 159798563

IUPAC—
SMILESC.[B].[B].[B].[B].[B][B]
InChIInChI=1S/CH4.B2.4B/c;1-2;;;;/h1H4;;;;;
InChIKeyJSINDMOSPXWNHU-UHFFFAOYSA-N
MW80.91 g/mol
LogP-1.65
Rot. Bonds

About CID 159798563

CID 159798563 (PubChem CID 159798563) has the molecular formula CH4B6 and a molecular weight of 80.91 g/mol.

Molecular Properties

Compound NameCID 159798563
PubChem CID159798563
Molecular FormulaCH4B6
Molecular Weight80.91 g/mol
Exact Mass82.09
IUPAC Name—
SMILESC.[B].[B].[B].[B].[B][B]
InChIInChI=1S/CH4.B2.4B/c;1-2;;;;/h1H4;;;;;
InChIKeyJSINDMOSPXWNHU-UHFFFAOYSA-N
XLogP-1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.91
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 158014904
CID 173025035
CID 173025035
CID 173166752
CID 173166752
methane;molecular chlorine
CID 159642020
CID 174961663
CID 174961663
CID 159089623
CID 159089623
CID 159267347
CID 159267347
CID 161395779
CID 161395779
methane
CID 159881189
methane
CID 169425837
methane
CID 160708418
CID 169431970
CID 169431970

Frequently Asked Questions

What is the IUPAC name of CID 159798563?
The IUPAC name of CID 159798563 (CID 159798563) is not available.
What is the SMILES notation for CID 159798563?
The canonical SMILES for CID 159798563 is C.[B].[B].[B].[B].[B][B].
What is the InChIKey of CID 159798563?
The InChIKey is JSINDMOSPXWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.B2.4B/c;1-2;;;;/h1H4;;;;;.
What are the key properties of CID 159798563?
CID 159798563 has a molecular weight of 80.91 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159798563 is sourced from PubChem (CID 159798563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).