CID 142262389

C8H8B2 — CID 142262389

IUPAC—
SMILES[B]c1cc(C)c(C)cc1[B]
InChIInChI=1S/C8H8B2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
InChIKeySYFOVRFQNQOIOT-UHFFFAOYSA-N
MW125.78 g/mol
LogP-0.11
Rot. Bonds

About CID 142262389

CID 142262389 (PubChem CID 142262389) has the molecular formula C8H8B2 and a molecular weight of 125.78 g/mol.

Molecular Properties

Compound NameCID 142262389
PubChem CID142262389
Molecular FormulaC8H8B2
Molecular Weight125.78 g/mol
Exact Mass126.08
IUPAC Name—
SMILES[B]c1cc(C)c(C)cc1[B]
InChIInChI=1S/C8H8B2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
InChIKeySYFOVRFQNQOIOT-UHFFFAOYSA-N
XLogP-0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.78
LogP ≤ 5-0.11
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 142262389?
The IUPAC name of CID 142262389 (CID 142262389) is not available.
What is the SMILES notation for CID 142262389?
The canonical SMILES for CID 142262389 is [B]c1cc(C)c(C)cc1[B].
What is the InChIKey of CID 142262389?
The InChIKey is SYFOVRFQNQOIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8B2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3.
What are the key properties of CID 142262389?
CID 142262389 has a molecular weight of 125.78 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142262389 is sourced from PubChem (CID 142262389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).