CID 161488453

C₁₅H₃₁NNaO₃ — CID 161488453

About CID 161488453

CID 161488453 (PubChem CID 161488453) has the molecular formula C₁₅H₃₁NNaO₃ and a molecular weight of 296.41 g/mol.

Molecular Properties

• Compound Name: CID 161488453
• PubChem CID: 161488453
• Molecular Formula: C₁₅H₃₁NNaO₃
• Molecular Weight: 296.41 g/mol
• Exact Mass: 296.22
• IUPAC Name: —
• SMILES: CCCCCCCCCCCCON[C@@H](C)C(=O)O.[Na]
• InChI: InChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14(2)15(17)18;/h14,16H,3-13H2,1-2H3,(H,17,18);/t14-;/m0./s1
• InChIKey: XLEQZCVCGIDGLZ-UQKRIMTDSA-N
• XLogP: 3.52
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.41
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 161488453?

The IUPAC name of CID 161488453 (CID 161488453) is not available.

What is the SMILES notation for CID 161488453?

The canonical SMILES for CID 161488453 is CCCCCCCCCCCCON[C@@H](C)C(=O)O.[Na].

What is the InChIKey of CID 161488453?

The InChIKey is XLEQZCVCGIDGLZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14(2)15(17)18;/h14,16H,3-13H2,1-2H3,(H,17,18);/t14-;/m0./s1.

What are the key properties of CID 161488453?

CID 161488453 has a molecular weight of 296.41 g/mol, XLogP of 3.52, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 161488453 is sourced from PubChem (CID 161488453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161488453 — identifiers, structure, computed properties (public domain)

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