CID 158419026

C₁₁H₂₆B₃O₆ — CID 158419026

About CID 158419026

CID 158419026 (PubChem CID 158419026) has the molecular formula C₁₁H₂₆B₃O₆ and a molecular weight of 286.76 g/mol.

Molecular Properties

• Compound Name: CID 158419026
• PubChem CID: 158419026
• Molecular Formula: C₁₁H₂₆B₃O₆
• Molecular Weight: 286.76 g/mol
• Exact Mass: 287.20
• IUPAC Name: —
• SMILES: C.C.[B]1OCCCCO1.[B]1OCCCO1.[B]1OCCO1
• InChI: InChI=1S/C4H8BO2.C3H6BO2.C2H4BO2.2CH4/c1-2-4-7-5-6-3-1;1-2-5-4-6-3-1;1-2-5-3-4-1;;/h1-4H2;1-3H2;1-2H2;2*1H4
• InChIKey: AGKDFRPXKARJCL-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.76
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158419026?

The IUPAC name of CID 158419026 (CID 158419026) is not available.

What is the SMILES notation for CID 158419026?

The canonical SMILES for CID 158419026 is C.C.[B]1OCCCCO1.[B]1OCCCO1.[B]1OCCO1.

What is the InChIKey of CID 158419026?

The InChIKey is AGKDFRPXKARJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BO2.C3H6BO2.C2H4BO2.2CH4/c1-2-4-7-5-6-3-1;1-2-5-4-6-3-1;1-2-5-3-4-1;;/h1-4H2;1-3H2;1-2H2;2*1H4.

What are the key properties of CID 158419026?

CID 158419026 has a molecular weight of 286.76 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158419026 is sourced from PubChem (CID 158419026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158419026 — identifiers, structure, computed properties (public domain)

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