1,10,11-trihydroxynonadecan-2-one

C₁₉H₃₈O₄ — CID 154932134

About 1,10,11-trihydroxynonadecan-2-one

1,10,11-trihydroxynonadecan-2-one (PubChem CID 154932134) has the molecular formula C₁₉H₃₈O₄ and a molecular weight of 330.51 g/mol. Its IUPAC name is 1,10,11-trihydroxynonadecan-2-one.

Molecular Properties

• Compound Name: 1,10,11-trihydroxynonadecan-2-one
• PubChem CID: 154932134
• Molecular Formula: C₁₉H₃₈O₄
• Molecular Weight: 330.51 g/mol
• Exact Mass: 330.28
• IUPAC Name: 1,10,11-trihydroxynonadecan-2-one
• SMILES: CCCCCCCCC(O)C(O)CCCCCCCC(=O)CO
• InChI: InChI=1S/C19H38O4/c1-2-3-4-5-8-11-14-18(22)19(23)15-12-9-6-7-10-13-17(21)16-20/h18-20,22-23H,2-16H2,1H3
• InChIKey: FTJYHJNOIXHHMW-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 77.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,10,11-trihydroxynonadecan-2-one?

The IUPAC name of 1,10,11-trihydroxynonadecan-2-one (CID 154932134) is 1,10,11-trihydroxynonadecan-2-one.

What is the SMILES notation for 1,10,11-trihydroxynonadecan-2-one?

The canonical SMILES for 1,10,11-trihydroxynonadecan-2-one is CCCCCCCCC(O)C(O)CCCCCCCC(=O)CO.

What is the InChIKey of 1,10,11-trihydroxynonadecan-2-one?

The InChIKey is FTJYHJNOIXHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-8-11-14-18(22)19(23)15-12-9-6-7-10-13-17(21)16-20/h18-20,22-23H,2-16H2,1H3.

What are the key properties of 1,10,11-trihydroxynonadecan-2-one?

1,10,11-trihydroxynonadecan-2-one has a molecular weight of 330.51 g/mol, XLogP of 3.75, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,10,11-trihydroxynonadecan-2-one is sourced from PubChem (CID 154932134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154932134 — identifiers, structure, computed properties (public domain)

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