CID 146783514

C₈H₁₇B₂O₃ — CID 146783514

About CID 146783514

CID 146783514 (PubChem CID 146783514) has the molecular formula C₈H₁₇B₂O₃ and a molecular weight of 182.84 g/mol.

Molecular Properties

• Compound Name: CID 146783514
• PubChem CID: 146783514
• Molecular Formula: C₈H₁₇B₂O₃
• Molecular Weight: 182.84 g/mol
• Exact Mass: 183.14
• IUPAC Name: —
• SMILES: CCO[B]B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C8H17B2O3/c1-6-11-9-10-12-7(2,3)8(4,5)13-10/h6H2,1-5H3
• InChIKey: CLWJDSNIAKOQKT-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.84
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 146783514?

The IUPAC name of CID 146783514 (CID 146783514) is not available.

What is the SMILES notation for CID 146783514?

The canonical SMILES for CID 146783514 is CCO[B]B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of CID 146783514?

The InChIKey is CLWJDSNIAKOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17B2O3/c1-6-11-9-10-12-7(2,3)8(4,5)13-10/h6H2,1-5H3.

What are the key properties of CID 146783514?

CID 146783514 has a molecular weight of 182.84 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 146783514 is sourced from PubChem (CID 146783514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146783514 — identifiers, structure, computed properties (public domain)

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