CID 173484312

CH3BU2 — CID 173484312

IUPAC—
SMILES[B]C.[U].[U]
InChIInChI=1S/CH3B.2U/c1-2;;/h1H3;;
InChIKeyDZEZANHPAQBYHE-UHFFFAOYSA-N
MW501.91 g/mol
LogP0.20
Rot. Bonds

About CID 173484312

CID 173484312 (PubChem CID 173484312) has the molecular formula CH3BU2 and a molecular weight of 501.91 g/mol.

Molecular Properties

Compound NameCID 173484312
PubChem CID173484312
Molecular FormulaCH3BU2
Molecular Weight501.91 g/mol
Exact Mass502.13
IUPAC Name—
SMILES[B]C.[U].[U]
InChIInChI=1S/CH3B.2U/c1-2;;/h1H3;;
InChIKeyDZEZANHPAQBYHE-UHFFFAOYSA-N
XLogP0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.91
LogP ≤ 50.20
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 173484312?
The IUPAC name of CID 173484312 (CID 173484312) is not available.
What is the SMILES notation for CID 173484312?
The canonical SMILES for CID 173484312 is [B]C.[U].[U].
What is the InChIKey of CID 173484312?
The InChIKey is DZEZANHPAQBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3B.2U/c1-2;;/h1H3;;.
What are the key properties of CID 173484312?
CID 173484312 has a molecular weight of 501.91 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173484312 is sourced from PubChem (CID 173484312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).