CID 58612647

C₉H₁₈Al — CID 58612647

About CID 58612647

CID 58612647 (PubChem CID 58612647) has the molecular formula C₉H₁₈Al and a molecular weight of 153.22 g/mol.

Molecular Properties

• Compound Name: CID 58612647
• PubChem CID: 58612647
• Molecular Formula: C₉H₁₈Al
• Molecular Weight: 153.22 g/mol
• Exact Mass: 153.12
• IUPAC Name: —
• SMILES: CCCCCCCC1C[Al]1
• InChI: InChI=1S/C9H18.Al/c1-3-5-7-9-8-6-4-2;/h3H,1,4-9H2,2H3
• InChIKey: MNDOGMNSFUWNBU-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.22
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 58612647?

The IUPAC name of CID 58612647 (CID 58612647) is not available.

What is the SMILES notation for CID 58612647?

The canonical SMILES for CID 58612647 is CCCCCCCC1C[Al]1.

What is the InChIKey of CID 58612647?

The InChIKey is MNDOGMNSFUWNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.Al/c1-3-5-7-9-8-6-4-2;/h3H,1,4-9H2,2H3;.

What are the key properties of CID 58612647?

CID 58612647 has a molecular weight of 153.22 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58612647 is sourced from PubChem (CID 58612647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58612647 — identifiers, structure, computed properties (public domain)

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