CID 59758261

C10H13B2Y2- — CID 59758261

IUPAC—
SMILES[B][B].[CH2-]CCCc1ccccc1.[Y].[Y]
InChIInChI=1S/C10H13.B2.2Y/c1-2-3-7-10-8-5-4-6-9-10;1-2;;/h4-6,8-9H,1-3,7H2;;;/q-1;;;
InChIKeyWOBHNVBLDZZHKW-UHFFFAOYSA-N
MW332.65 g/mol
LogP2.08
Rot. Bonds3

About CID 59758261

CID 59758261 (PubChem CID 59758261) has the molecular formula C10H13B2Y2- and a molecular weight of 332.65 g/mol.

Molecular Properties

Compound NameCID 59758261
PubChem CID59758261
Molecular FormulaC10H13B2Y2-
Molecular Weight332.65 g/mol
Exact Mass332.93
IUPAC Name—
SMILES[B][B].[CH2-]CCCc1ccccc1.[Y].[Y]
InChIInChI=1S/C10H13.B2.2Y/c1-2-3-7-10-8-5-4-6-9-10;1-2;;/h4-6,8-9H,1-3,7H2;;;/q-1;;;
InChIKeyWOBHNVBLDZZHKW-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159131095
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Frequently Asked Questions

What is the IUPAC name of CID 59758261?
The IUPAC name of CID 59758261 (CID 59758261) is not available.
What is the SMILES notation for CID 59758261?
The canonical SMILES for CID 59758261 is [B][B].[CH2-]CCCc1ccccc1.[Y].[Y].
What is the InChIKey of CID 59758261?
The InChIKey is WOBHNVBLDZZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.B2.2Y/c1-2-3-7-10-8-5-4-6-9-10;1-2;;/h4-6,8-9H,1-3,7H2;;;/q-1;;;.
What are the key properties of CID 59758261?
CID 59758261 has a molecular weight of 332.65 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59758261 is sourced from PubChem (CID 59758261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).