CID 169190694

C8H10B2 — CID 169190694

IUPAC—
SMILES[B]C([B])(C)C1=CC=CCC1
InChIInChI=1S/C8H10B2/c1-8(9,10)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyVIDBOKMLLZUPHZ-UHFFFAOYSA-N
MW127.79 g/mol
LogP1.74
Rot. Bonds1

About CID 169190694

CID 169190694 (PubChem CID 169190694) has the molecular formula C8H10B2 and a molecular weight of 127.79 g/mol.

Molecular Properties

Compound NameCID 169190694
PubChem CID169190694
Molecular FormulaC8H10B2
Molecular Weight127.79 g/mol
Exact Mass128.10
IUPAC Name—
SMILES[B]C([B])(C)C1=CC=CCC1
InChIInChI=1S/C8H10B2/c1-8(9,10)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyVIDBOKMLLZUPHZ-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.79
LogP ≤ 51.74
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 169190694?
The IUPAC name of CID 169190694 (CID 169190694) is not available.
What is the SMILES notation for CID 169190694?
The canonical SMILES for CID 169190694 is [B]C([B])(C)C1=CC=CCC1.
What is the InChIKey of CID 169190694?
The InChIKey is VIDBOKMLLZUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10B2/c1-8(9,10)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3.
What are the key properties of CID 169190694?
CID 169190694 has a molecular weight of 127.79 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169190694 is sourced from PubChem (CID 169190694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).