CID 58289255

C8H16B2Y — CID 58289255

IUPAC—
SMILESC[B]/C(CC)=C(\[B]C)CC.[Y]
InChIInChI=1S/C8H16B2.Y/c1-5-7(9-3)8(6-2)10-4;/h5-6H2,1-4H3;/b8-7-;
InChIKeyIPWGNLUOXREUHP-CFYXSCKTSA-N
MW222.75 g/mol
LogP2.52
Rot. Bonds4

About CID 58289255

CID 58289255 (PubChem CID 58289255) has the molecular formula C8H16B2Y and a molecular weight of 222.75 g/mol.

Molecular Properties

Compound NameCID 58289255
PubChem CID58289255
Molecular FormulaC8H16B2Y
Molecular Weight222.75 g/mol
Exact Mass223.05
IUPAC Name—
SMILESC[B]/C(CC)=C(\[B]C)CC.[Y]
InChIInChI=1S/C8H16B2.Y/c1-5-7(9-3)8(6-2)10-4;/h5-6H2,1-4H3;/b8-7-;
InChIKeyIPWGNLUOXREUHP-CFYXSCKTSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.75
LogP ≤ 52.52
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 58289255?
The IUPAC name of CID 58289255 (CID 58289255) is not available.
What is the SMILES notation for CID 58289255?
The canonical SMILES for CID 58289255 is C[B]/C(CC)=C(\[B]C)CC.[Y].
What is the InChIKey of CID 58289255?
The InChIKey is IPWGNLUOXREUHP-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H16B2.Y/c1-5-7(9-3)8(6-2)10-4;/h5-6H2,1-4H3;/b8-7-;.
What are the key properties of CID 58289255?
CID 58289255 has a molecular weight of 222.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58289255 is sourced from PubChem (CID 58289255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).