CID 173485151

C4H6B2 — CID 173485151

IUPAC—
SMILES[B]C/C=C/C[B]
InChIInChI=1S/C4H6B2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKeyPFYVLAULUJWHMI-OWOJBTEDSA-N
MW75.72 g/mol
LogP0.72
Rot. Bonds2

About CID 173485151

CID 173485151 (PubChem CID 173485151) has the molecular formula C4H6B2 and a molecular weight of 75.72 g/mol.

Molecular Properties

Compound NameCID 173485151
PubChem CID173485151
Molecular FormulaC4H6B2
Molecular Weight75.72 g/mol
Exact Mass76.07
IUPAC Name—
SMILES[B]C/C=C/C[B]
InChIInChI=1S/C4H6B2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKeyPFYVLAULUJWHMI-OWOJBTEDSA-N
XLogP0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.72
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173485151?
The IUPAC name of CID 173485151 (CID 173485151) is not available.
What is the SMILES notation for CID 173485151?
The canonical SMILES for CID 173485151 is [B]C/C=C/C[B].
What is the InChIKey of CID 173485151?
The InChIKey is PFYVLAULUJWHMI-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6B2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+.
What are the key properties of CID 173485151?
CID 173485151 has a molecular weight of 75.72 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173485151 is sourced from PubChem (CID 173485151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).