CID 20665495

C4H8B2 — CID 20665495

IUPAC—
SMILES[B]C(C)C([B])C
InChIInChI=1S/C4H8B2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyGCZNASPJCMASPB-UHFFFAOYSA-N
MW77.73 g/mol
LogP0.94
Rot. Bonds1

About CID 20665495

CID 20665495 (PubChem CID 20665495) has the molecular formula C4H8B2 and a molecular weight of 77.73 g/mol.

Molecular Properties

Compound NameCID 20665495
PubChem CID20665495
Molecular FormulaC4H8B2
Molecular Weight77.73 g/mol
Exact Mass78.08
IUPAC Name—
SMILES[B]C(C)C([B])C
InChIInChI=1S/C4H8B2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyGCZNASPJCMASPB-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20665495?
The IUPAC name of CID 20665495 (CID 20665495) is not available.
What is the SMILES notation for CID 20665495?
The canonical SMILES for CID 20665495 is [B]C(C)C([B])C.
What is the InChIKey of CID 20665495?
The InChIKey is GCZNASPJCMASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8B2/c1-3(5)4(2)6/h3-4H,1-2H3.
What are the key properties of CID 20665495?
CID 20665495 has a molecular weight of 77.73 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20665495 is sourced from PubChem (CID 20665495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).