CID 20770195

C4H8B2 — CID 20770195

IUPAC—
SMILES[B]CCCC[B]
InChIInChI=1S/C4H8B2/c5-3-1-2-4-6/h1-4H2
InChIKeyOJGFXAMAQMNSAW-UHFFFAOYSA-N
MW77.73 g/mol
LogP0.94
Rot. Bonds3

About CID 20770195

CID 20770195 (PubChem CID 20770195) has the molecular formula C4H8B2 and a molecular weight of 77.73 g/mol.

Molecular Properties

Compound NameCID 20770195
PubChem CID20770195
Molecular FormulaC4H8B2
Molecular Weight77.73 g/mol
Exact Mass78.08
IUPAC Name—
SMILES[B]CCCC[B]
InChIInChI=1S/C4H8B2/c5-3-1-2-4-6/h1-4H2
InChIKeyOJGFXAMAQMNSAW-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.73
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 20770195 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174963383
CID 174963383
CID 59071946
CID 59071946
CID 161096255
CID 161096255
CID 175503232
CID 175503232
CID 123195994
CID 123195994
CID 87425804
CID 87425804
CID 173498091
CID 173498091
CID 174813373
CID 174813373
CID 173077297
CID 173077297
CID 87643366
CID 87643366
CID 87425929
CID 87425929
CID 177007311
CID 177007311

Frequently Asked Questions

What is the IUPAC name of CID 20770195?
The IUPAC name of CID 20770195 (CID 20770195) is not available.
What is the SMILES notation for CID 20770195?
The canonical SMILES for CID 20770195 is [B]CCCC[B].
What is the InChIKey of CID 20770195?
The InChIKey is OJGFXAMAQMNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8B2/c5-3-1-2-4-6/h1-4H2.
What are the key properties of CID 20770195?
CID 20770195 has a molecular weight of 77.73 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20770195 is sourced from PubChem (CID 20770195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).